source /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/install.info
setenv GMS_VERSION 00
setenv GMS_PATH /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload
setenv GMS_BUILD_DIR /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload
setenv GMS_TARGET hpe-cray-ex
setenv GMS_HPC_SYSTEM_TARGET frontier
setenv GMS_FORTRAN ftn
setenv GMS_MATHLIB LibSci
setenv GMS_MATHLIB_PATH /opt/cray/pe/libsci/22.12.1.1/CRAY/9.0/x86_64
setenv GMS_MATHLIB_INCLUDE_PATH
setenv GMS_MKL_VERNO
setenv GMS_THREADED_BLAS false
setenv GMS_LAPACK_LINK_LINE
setenv GMS_DDI_COMM mpi
setenv GMS_MPI_LIB craycs
setenv GMS_LIBCCHEM false
setenv GMS_LIBCCHEM_GPU_SUPPORT
setenv GMS_LIBCCHEM_LIBS -ldl -lrt
setenv GMS_HDF5_PATH
setenv GMS_CUDA_BOARD
setenv GMS_CUDA_PATH
setenv GMS_EIGEN_PATH
setenv GMS_BOOST_PATH
setenv GMS_GA_PATH
setenv GMS_PHI none
setenv GMS_SHMTYPE sysv
setenv GMS_OPENMP true
setenv GMS_OPENMP_OFFLOAD true
setenv GMS_USE_HIPFORT true
setenv HIPFORT_HOME /lustre/orion/world-shared/chm135/hipfort/frontier/cpe-22.12/hipfort/cce_15.0.0-rocm_5.3.0
setenv USE_CUBLAS false
setenv USE_HIPBLAS true
setenv GMS_LIBXC false
setenv GMS_MDI false
setenv GMS_MSUAUTO false
setenv GMS_VM2 false
setenv TINKER false
setenv VB2000 false
setenv XMVB false
setenv NEO false
setenv NBO false
setenv GMS_FPE_FLAGS
if ( ! 1 ) setenv OMP_NUM_THREADS 6
if ( ! 0 ) setenv OMP_STACKSIZE 1G
setenv OMP_STACKSIZE 1G
setenv GMS_C_DEBUG_FLAGS
unset echo
SLURM has assigned the following compute nodes to this run:
frontier00056
frontier00057
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mkdir -p /lustre/orion/scratch/saromleang/chm135/1398320
Input file supplied : msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.inp
----- GAMESS execution script 'rungms-dev' -----
This job is running on host frontier00056
under operating system Linux at Sat 05 Aug 2023 04:41:03 PM EDT with hpe-cray-ex communication mode
Available scratch disk space (Kbyte units) at beginning of the job is
Filesystem 1K-blocks Used Available Use% Mounted on
10761@kfi,10824@kfi:10825@kfi,10760@kfi:/orion 663070039711744 87109452800000 575960349020160 14% /lustre/orion
GAMESS temporary binary files will be written to /lustre/orion/scratch/saromleang/chm135/1398320
GAMESS supplementary output files will be written to /lustre/orion/scratch/saromleang/chm135/1398320/restart
limit stacksize 786432
unset echo
Copying input file msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.inp to your run's scratch directory...
cp msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.inp /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F05
setenv NO_STOP_MESSAGE 1
setenv AUXDATA /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata
setenv EXTBAS /dev/null
setenv NUCBAS /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.nucbas
setenv EXTCAB /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/AUXBAS/auxdef21
setenv POSBAS /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.posbas
setenv DFTBPAR /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/DFTB
setenv ERICFMT /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/ericfmt.dat
setenv MCPPATH /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/MCP
setenv BASPATH /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/BASES
setenv QUANPOL /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/auxdata/QUANPOL
setenv MAKEFP /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.efp
setenv GAMMA /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.gamma
setenv TRAJECT /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.trj
setenv RESTART /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.rst
setenv QMWAVE /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.qmw
setenv MDDIP /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.dip
setenv OPTHES1 /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.hs1
setenv OPTHES2 /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.hs2
setenv FCIDUMP /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.FCIDUMP
setenv XYZ /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.xyz
setenv IRCDATA /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F04
setenv INPUT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F05
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.dat
setenv NAMDRST /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.namdrst
setenv AOINTS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F08
setenv MOINTS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F09
setenv DICTNRY /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F10
setenv DRTFILE /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F11
setenv CIVECTR /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F12
setenv CASINTS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F13
setenv CIINTS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F14
setenv WORK15 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F15
setenv WORK16 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F16
setenv CSFSAVE /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F17
setenv FOCKDER /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F18
setenv WORK19 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F19
setenv DASORT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F20
setenv DIABDAT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F21
setenv DFTINTS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F21
setenv DFTGRID /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F22
setenv JKFILE /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F23
setenv ORDINT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F24
setenv EFPIND /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F25
setenv PCMDATA /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F26
setenv PCMINTS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F27
setenv SVPWRK1 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F26
setenv SVPWRK2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F27
setenv COSCAV /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F26
setenv COSDATA /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.cosmo
setenv COSPOT /lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.pot
setenv MLTPL /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F28
setenv MLTPLT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F29
setenv DAFL30 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F30
setenv SOINTX /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F31
setenv SOINTY /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F32
setenv SOINTZ /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F33
setenv SORESC /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F34
setenv QOPWRF /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.wrf
setenv GCILIST /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F37
setenv HESSIAN /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F38
setenv QMMMTEI /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F39
setenv SOCCDAT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F40
setenv AABB41 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F41
setenv BBAA42 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F42
setenv BBBB43 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F43
setenv REMD /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F44
setenv UNV /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F45
setenv UNPV /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F46
setenv MCQD50 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F50
setenv MCQD51 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F51
setenv MCQD52 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F52
setenv MCQD53 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F53
setenv MCQD54 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F54
setenv MCQD55 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F55
setenv MCQD56 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F56
setenv MCQD57 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F57
setenv MCQD58 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F58
setenv MCQD59 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F59
setenv MCQD60 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F60
setenv MCQD61 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F61
setenv MCQD62 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F62
setenv MCQD63 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F63
setenv MCQD64 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F64
setenv NMRINT1 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F61
setenv NMRINT2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F62
setenv NMRINT3 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F63
setenv NMRINT4 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F64
setenv NMRINT5 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F65
setenv NMRINT6 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F66
setenv DCPHFH2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F67
setenv DCPHF21 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F68
setenv ELNUINT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F67
setenv NUNUINT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F68
setenv GVVPT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F69
setenv NUMOIN /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F69
setenv NUMOCAS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F70
setenv NUELMO /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F71
setenv NUELCAS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F72
setenv EPOVRLP /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F73
setenv RIVMAT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F51
setenv RIT2A /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F52
setenv RIT3A /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F53
setenv RIT2B /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F54
setenv RIT3B /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F55
setenv KI /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F47
setenv BI /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F48
setenv PRMERI /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F49
setenv TRSERI /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F50
setenv PVP /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F51
setenv TPVPI /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F52
setenv TPVPJ /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F53
setenv PPVPP /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F54
setenv TPPVPP /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F55
setenv DEN2P1 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F70
setenv DEN2P2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F71
setenv DEN2P3 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F72
setenv DEN2P4 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F73
setenv DEN2NM /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F74
setenv DEN2OPT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F75
setenv GMCREF /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F70
setenv GMCO2R /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F71
setenv GMCROC /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F72
setenv GMCOOC /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F73
setenv GMCCC0 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F74
setenv GMCHMA /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F75
setenv GMCEI1 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F76
setenv GMCEI2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F77
setenv GMCEOB /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F78
setenv GMCEDT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F79
setenv GMCERF /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F80
setenv GMCHCR /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F81
setenv GMCGJK /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F82
setenv GMCGAI /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F83
setenv GMCGEO /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F84
setenv GMCTE1 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F85
setenv GMCTE2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F86
setenv GMCHEF /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F87
setenv GMCMOL /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F88
setenv GMCMOS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F89
setenv GMCWGT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F90
setenv GMCRM2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F91
setenv GMCRM1 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F92
setenv GMCR00 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F93
setenv GMCRP1 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F94
setenv GMCRP2 /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F95
setenv GMCVEF /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F96
setenv GMCDIN /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F97
setenv GMC2SZ /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F98
setenv GMCCCS /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F99
unset echo
This is a GDDI run, keeping various output files on local disks
setenv OUTPUT /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F06
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F07
unset echo
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.casino': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.dmn': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.cim': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.cosmo': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.pot': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.gamma': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.efp': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.dip': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.hs1': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.hs2': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F07': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.qmw': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.rst': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1398320/restart/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.trj': No such file or directory
GDDI has to copy your input to every node ...
Creating /lustre/orion/scratch/saromleang/chm135/1398320 on every node
Copying /lustre/orion/scratch/saromleang/chm135/1398320/msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu.F05 to every node
Note: the module "darshan-runtime" cannot be unloaded because it was not
loaded.
Currently Loaded Modules:
1) craype-x86-trento 10) craype/2.7.19
2) libfabric/1.15.2.0 11) cpe/22.12
3) craype-network-ofi 12) cce/15.0.0
4) xpmem/2.6.2-2.5_2.22__gd067c3f.shasta 13) hsi/default
5) nano/6.3 14) DefApps/default
6) PrgEnv-cray/8.3.3 15) cray-mpich/8.1.23
7) cray-dsmml/0.2.2 16) rocm/5.3.0
8) cray-libsci/22.12.1.1 17) hipfort/5.3
9) cray-pmi/6.1.8
srun --propagate=STACK --exclusive --export=ALL --cpu-bind verbose,cores -N 128 -n 2048 --ntasks-per-node=16 -c 6 --gpus=1024 --gpu-bind=closest /autofs/nccs-svm1_home1/saromleang/gamess-tsatta-w2-efp-offload/gamess.00.x msn_05frag_4600water_efmo_rimp2.rcut2_0128N-0128-cpu
cpu-bind=MASK - frontier01081, task 272 0 [22697]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01081, task 273 1 [22698]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03769, task 944 0 [19737]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04789, task 1184 0 [22969]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04789, task 1185 1 [22970]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07986, task 1856 0 [88172]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07986, task 1857 1 [88173]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01720, task 416 0 [77672]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02873, task 704 0 [15996]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02873, task 705 1 [15997]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02497, task 624 0 [121070]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02497, task 625 1 [121071]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02744, task 672 0 [124475]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01981, task 480 0 [57417]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01721, task 432 0 [70119]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00571, task 144 0 [47646]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00571, task 145 1 [47647]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01080, task 256 0 [28219]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02363, task 592 0 [114051]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05301, task 1312 0 [5979]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier09010, task 1984 0 [68455]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06579, task 1648 0 [26361]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06579, task 1649 1 [26362]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08627, task 1936 0 [20259]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08627, task 1937 1 [20260]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00448, task 112 0 [122611]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06834, task 1696 0 [115047]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06834, task 1697 1 [115048]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01081, task 274 2 [22699]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03769, task 945 1 [19738]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04789, task 1186 2 [22971]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04789, task 1187 3 [22972]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07986, task 1858 2 [88174]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07986, task 1859 3 [88175]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01720, task 417 1 [77673]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01720, task 418 2 [77674]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02873, task 706 2 [15998]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04151, task 1040 0 [54387]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01853, task 464 0 [33615]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06323, task 1568 0 [68652]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06323, task 1569 1 [68653]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08370, task 1904 0 [93942]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08370, task 1905 1 [93943]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03383, task 848 0 [119880]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03383, task 849 1 [119881]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06069, task 1520 0 [98044]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04533, task 1136 0 [45653]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04533, task 1137 1 [45654]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01465, task 368 0 [130680]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06454, task 1616 0 [43183]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02497, task 626 2 [121072]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02497, task 627 3 [121073]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02744, task 673 1 [124476]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01981, task 481 1 [57418]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01721, task 433 1 [70120]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00571, task 146 2 [47648]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00571, task 147 3 [47649]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06962, task 1728 0 [39620]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02106, task 528 0 [94118]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02106, task 529 1 [94119]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08882, task 1968 0 [27278]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00447, task 96 0 [115408]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08498, task 1920 0 [42628]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00826, task 192 0 [116811]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00826, task 193 1 [116812]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06197, task 1536 0 [90001]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04407, task 1104 0 [15838]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01342, task 336 0 [13790]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05175, task 1296 0 [5995]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01080, task 257 1 [28220]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02363, task 593 1 [114052]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05301, task 1313 1 [5980]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05301, task 1314 2 [5981]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier09010, task 1985 1 [68456]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06579, task 1650 2 [26363]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08627, task 1938 2 [20261]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08627, task 1939 3 [20262]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00448, task 113 1 [122612]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06834, task 1698 2 [115049]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06834, task 1699 3 [115050]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10417, task 2032 0 [34269]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04532, task 1120 0 [90125]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08241, task 1888 0 [45425]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08241, task 1889 1 [45426]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04917, task 1216 0 [20034]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00827, task 208 0 [85273]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04661, task 1168 0 [27182]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04661, task 1169 1 [27183]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04150, task 1024 0 [129718]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03511, task 880 0 [125286]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03511, task 881 1 [125287]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02618, task 640 0 [94202]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00697, task 160 0 [32151]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02234, task 544 0 [112206]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03382, task 832 0 [36043]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03382, task 833 1 [36044]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03896, task 976 0 [55232]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06068, task 1504 0 [121120]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06068, task 1505 1 [121121]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01594, task 400 0 [28492]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04282, task 1072 0 [8305]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03001, task 736 0 [77920]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01211, task 304 0 [123689]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01211, task 305 1 [123690]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06453, task 1600 0 [107430]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07090, task 1744 0 [35081]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07090, task 1745 1 [35082]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05431, task 1360 0 [6579]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05431, task 1361 1 [6580]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01464, task 352 0 [99197]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00314, task 80 0 [54642]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08757, task 1952 0 [115531]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08757, task 1953 1 [115532]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05174, task 1280 0 [113204]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05174, task 1281 1 [113205]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05943, task 1472 0 [106504]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02237, task 560 0 [77521]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03002, task 752 0 [46016]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06706, task 1664 0 [50499]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07602, task 1808 0 [77246]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07602, task 1809 1 [77247]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03257, task 800 0 [103409]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03257, task 801 1 [103410]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05687, task 1424 0 [18259]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04918, task 1232 0 [73903]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02105, task 512 0 [55250]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00189, task 32 0 [86541]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00189, task 33 1 [86542]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00954, task 224 0 [15813]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00954, task 225 1 [15814]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00698, task 176 0 [18206]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01081, task 275 3 [22700]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03769, task 946 2 [19739]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04789, task 1188 4 [22973]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07986, task 1860 4 [88176]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01720, task 419 3 [77675]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02873, task 707 3 [15999]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04151, task 1041 1 [54388]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01853, task 465 1 [33616]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06323, task 1570 2 [68654]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06323, task 1571 3 [68655]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08370, task 1906 2 [93944]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08370, task 1907 3 [93945]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03383, task 850 2 [119882]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06069, task 1521 1 [98045]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04533, task 1138 2 [45655]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01465, task 369 1 [130681]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06454, task 1617 1 [43184]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06454, task 1618 2 [43185]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02497, task 628 4 [121074]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02744, task 674 2 [124477]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01981, task 482 2 [57419]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01721, task 434 2 [70121]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00571, task 148 4 [47650]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00571, task 149 5 [47651]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06962, task 1729 1 [39621]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02106, task 530 2 [94120]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08882, task 1969 1 [27279]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00447, task 97 1 [115409]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08498, task 1921 1 [42629]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00826, task 194 2 [116813]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00826, task 195 3 [116814]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06197, task 1537 1 [90002]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04407, task 1105 1 [15839]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01342, task 337 1 [13791]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05175, task 1297 1 [5996]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01080, task 258 2 [28221]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02363, task 594 2 [114053]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05301, task 1315 3 [5982]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier09010, task 1986 2 [68457]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06579, task 1651 3 [26364]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06579, task 1652 4 [26365]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08627, task 1940 4 [20263]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00448, task 114 2 [122613]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06834, task 1700 4 [115051]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10417, task 2033 1 [34270]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04532, task 1121 1 [90126]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08241, task 1890 2 [45427]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08241, task 1891 3 [45428]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04917, task 1217 1 [20035]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04917, task 1218 2 [20036]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00827, task 209 1 [85274]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04661, task 1170 2 [27184]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04150, task 1025 1 [129719]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03511, task 882 2 [125288]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02618, task 641 1 [94203]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02618, task 642 2 [94204]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00697, task 161 1 [32152]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02234, task 545 1 [112207]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03382, task 834 2 [36045]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03896, task 977 1 [55233]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06068, task 1506 2 [121122]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01594, task 401 1 [28493]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01594, task 402 2 [28494]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04282, task 1073 1 [8306]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03001, task 737 1 [77921]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01211, task 306 2 [123691]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06453, task 1601 1 [107431]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07090, task 1746 2 [35083]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07090, task 1747 3 [35084]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05431, task 1362 2 [6581]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05431, task 1363 3 [6582]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01464, task 353 1 [99198]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00314, task 81 1 [54643]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08757, task 1954 2 [115533]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08757, task 1955 3 [115534]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05174, task 1282 2 [113206]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05174, task 1283 3 [113207]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05943, task 1473 1 [106505]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02237, task 561 1 [77522]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03002, task 753 1 [46017]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06706, task 1665 1 [50500]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06706, task 1666 2 [50501]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07602, task 1810 2 [77248]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03257, task 802 2 [103411]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03257, task 803 3 [103412]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05687, task 1425 1 [18260]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04918, task 1233 1 [73904]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04918, task 1234 2 [73905]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02105, task 513 1 [55251]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00189, task 34 2 [86543]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00189, task 35 3 [86544]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00954, task 226 2 [15815]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00954, task 227 3 [15816]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00698, task 177 1 [18207]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10294, task 2016 0 [64229]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05044, task 1248 0 [80282]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05044, task 1249 1 [80283]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06324, task 1584 0 [39457]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06324, task 1585 1 [39458]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07732, task 1824 0 [61185]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07732, task 1825 1 [61186]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01210, task 288 0 [8359]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01210, task 289 1 [8360]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07347, task 1776 0 [116942]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03258, task 816 0 [129296]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03258, task 817 1 [129297]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03641, task 912 0 [20905]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04790, task 1200 0 [124811]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00190, task 48 0 [70905]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02874, task 720 0 [80169]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05558, task 1392 0 [4794]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02362, task 576 0 [92504]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01593, task 384 0 [75620]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04660, task 1152 0 [18259]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04660, task 1153 1 [18260]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01982, task 496 0 [83108]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01982, task 497 1 [83109]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01852, task 448 0 [57913]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05813, task 1456 0 [39989]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05813, task 1457 1 [39990]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06198, task 1552 0 [85771]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06198, task 1553 1 [85772]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03130, task 784 0 [70274]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03130, task 785 1 [70275]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05045, task 1264 0 [23665]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05045, task 1265 1 [23666]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07862, task 1840 0 [100441]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07862, task 1841 1 [100442]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02745, task 688 0 [125180]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03768, task 928 0 [64127]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03768, task 929 1 [64128]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05686, task 1408 0 [110863]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05686, task 1409 1 [110864]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07475, task 1792 0 [61789]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00057, task 16 0 [115759]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00057, task 17 1 [115760]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00313, task 64 0 [19617]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00313, task 65 1 [19618]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04022, task 992 0 [5533]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02619, task 656 0 [28883]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05557, task 1376 0 [118199]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05557, task 1377 1 [118200]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01341, task 320 0 [49548]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03640, task 896 0 [127297]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02496, task 608 0 [64730]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02496, task 609 1 [64731]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10161, task 2000 0 [8244]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10161, task 2001 1 [8245]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07218, task 1760 0 [19591]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07218, task 1761 1 [19592]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06835, task 1712 0 [111531]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04406, task 1088 0 [69337]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05302, task 1328 0 [83118]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00570, task 128 0 [37296]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00570, task 129 1 [37297]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01081, task 276 4 [22701]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03769, task 947 3 [19740]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04789, task 1189 5 [22974]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07986, task 1861 5 [88177]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01720, task 420 4 [77676]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02873, task 708 4 [16000]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04151, task 1042 2 [54389]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01853, task 466 2 [33617]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06323, task 1572 4 [68656]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08370, task 1908 4 [93946]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03383, task 851 3 [119883]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06069, task 1522 2 [98046]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04533, task 1139 3 [45656]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04533, task 1140 4 [45657]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01465, task 370 2 [130682]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06454, task 1619 3 [43186]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02497, task 629 5 [121075]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02744, task 675 3 [124478]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01981, task 483 3 [57420]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01721, task 435 3 [70122]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00571, task 150 6 [47652]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06962, task 1730 2 [39622]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02106, task 531 3 [94121]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08882, task 1970 2 [27280]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00447, task 98 2 [115410]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08498, task 1922 2 [42630]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00826, task 196 4 [116815]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06197, task 1538 2 [90003]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04407, task 1106 2 [15840]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01342, task 338 2 [13792]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05175, task 1298 2 [5997]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01080, task 259 3 [28222]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02363, task 595 3 [114054]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05301, task 1316 4 [5983]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier09010, task 1987 3 [68458]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06579, task 1653 5 [26366]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08627, task 1941 5 [20264]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00448, task 115 3 [122614]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06834, task 1701 5 [115052]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10417, task 2034 2 [34271]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04532, task 1122 2 [90127]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08241, task 1892 4 [45429]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04917, task 1219 3 [20037]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00827, task 210 2 [85275]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04661, task 1171 3 [27185]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04150, task 1026 2 [129720]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03511, task 883 3 [125289]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03511, task 884 4 [125290]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02618, task 643 3 [94205]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00697, task 162 2 [32153]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02234, task 546 2 [112208]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03382, task 835 3 [36046]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03382, task 836 4 [36047]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03896, task 978 2 [55234]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06068, task 1507 3 [121123]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06068, task 1508 4 [121124]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01594, task 403 3 [28495]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04282, task 1074 2 [8307]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03001, task 738 2 [77922]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01211, task 307 3 [123692]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06453, task 1602 2 [107432]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07090, task 1748 4 [35085]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05431, task 1364 4 [6583]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01464, task 354 2 [99199]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00314, task 82 2 [54644]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08757, task 1956 4 [115535]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05174, task 1284 4 [113208]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05943, task 1474 2 [106506]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02237, task 562 2 [77523]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03002, task 754 2 [46018]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06706, task 1667 3 [50502]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07602, task 1811 3 [77249]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07602, task 1812 4 [77250]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03257, task 804 4 [103413]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05687, task 1426 2 [18261]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04918, task 1235 3 [73906]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02105, task 514 2 [55252]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00189, task 36 4 [86545]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00954, task 228 4 [15817]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00698, task 178 2 [18208]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier10294, task 2017 1 [64230]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05044, task 1250 2 [80284]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06324, task 1586 2 [39459]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07732, task 1826 2 [61187]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01210, task 290 2 [8361]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07347, task 1777 1 [116943]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03258, task 818 2 [129298]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03258, task 819 3 [129299]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03641, task 913 1 [20906]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04790, task 1201 1 [124812]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04790, task 1202 2 [124813]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00190, task 49 1 [70906]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02874, task 721 1 [80170]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05558, task 1393 1 [4795]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02362, task 577 1 [92505]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01593, task 385 1 [75621]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04660, task 1154 2 [18261]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01982, task 498 2 [83110]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01982, task 499 3 [83111]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01852, task 449 1 [57914]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05813, task 1458 2 [39991]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05813, task 1459 3 [39992]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06198, task 1554 2 [85773]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03130, task 786 2 [70276]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03130, task 787 3 [70277]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05045, task 1266 2 [23667]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05045, task 1267 3 [23668]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07862, task 1842 2 [100443]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07862, task 1843 3 [100444]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02745, task 689 1 [125181]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03768, task 930 2 [64129]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03768, task 931 3 [64130]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05686, task 1410 2 [110865]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07475, task 1793 1 [61790]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07475, task 1794 2 [61791]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00057, task 18 2 [115761]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00057, task 19 3 [115762]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00313, task 66 2 [19619]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00313, task 67 3 [19620]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00313, task 68 4 [19621]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04022, task 993 1 [5534]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02619, task 657 1 [28884]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05557, task 1378 2 [118201]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05557, task 1379 3 [118202]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01341, task 321 1 [49549]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03640, task 897 1 [127298]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02496, task 610 2 [64732]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier10161, task 2002 2 [8246]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07218, task 1762 2 [19593]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07218, task 1763 3 [19594]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06835, task 1713 1 [111532]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04406, task 1089 1 [69338]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05302, task 1329 1 [83119]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00570, task 130 2 [37298]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00570, task 131 3 [37299]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06578, task 1632 0 [19326]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06578, task 1633 1 [19327]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04281, task 1056 0 [100410]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03895, task 960 0 [75903]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00955, task 240 0 [122004]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05812, task 1440 0 [64006]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05944, task 1488 0 [9923]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05944, task 1489 1 [9924]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05430, task 1344 0 [57069]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03510, task 864 0 [73828]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06707, task 1680 0 [3490]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06707, task 1681 1 [3491]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03129, task 768 0 [24823]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08115, task 1872 0 [35726]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08115, task 1873 1 [35727]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04023, task 1008 0 [17522]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04023, task 1009 1 [17523]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00056, task 0 0 [115584]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00056, task 1 1 [115585]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01081, task 277 5 [22702]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03769, task 948 4 [19741]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04789, task 1190 6 [22975]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07986, task 1862 6 [88178]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01720, task 421 5 [77677]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02873, task 709 5 [16001]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04151, task 1043 3 [54390]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01853, task 467 3 [33618]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06323, task 1573 5 [68657]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08370, task 1909 5 [93947]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03383, task 852 4 [119884]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06069, task 1523 3 [98047]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04533, task 1141 5 [45658]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01465, task 371 3 [130683]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06454, task 1620 4 [43187]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02497, task 630 6 [121076]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02744, task 676 4 [124479]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01981, task 484 4 [57421]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01721, task 436 4 [70123]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00571, task 151 7 [47653]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06962, task 1731 3 [39623]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06962, task 1732 4 [39624]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02106, task 532 4 [94122]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08882, task 1971 3 [27281]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00447, task 99 3 [115411]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08498, task 1923 3 [42631]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00826, task 197 5 [116816]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06197, task 1539 3 [90004]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04407, task 1107 3 [15841]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01342, task 339 3 [13793]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05175, task 1299 3 [5998]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01080, task 260 4 [28223]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02363, task 596 4 [114055]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05301, task 1317 5 [5984]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier09010, task 1988 4 [68459]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06579, task 1654 6 [26367]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08627, task 1942 6 [20265]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00448, task 116 4 [122615]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06834, task 1702 6 [115053]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10417, task 2035 3 [34272]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04532, task 1123 3 [90128]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08241, task 1893 5 [45430]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04917, task 1220 4 [20038]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00827, task 211 3 [85276]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04661, task 1172 4 [27186]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04150, task 1027 3 [129721]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03511, task 885 5 [125291]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02618, task 644 4 [94206]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00697, task 163 3 [32154]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02234, task 547 3 [112209]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03382, task 837 5 [36048]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03896, task 979 3 [55235]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06068, task 1509 5 [121125]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01594, task 404 4 [28496]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04282, task 1075 3 [8308]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03001, task 739 3 [77923]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01211, task 308 4 [123693]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06453, task 1603 3 [107433]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07090, task 1749 5 [35086]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05431, task 1365 5 [6584]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01464, task 355 3 [99200]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00314, task 83 3 [54645]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08757, task 1957 5 [115536]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05174, task 1285 5 [113209]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05943, task 1475 3 [106507]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02237, task 563 3 [77524]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03002, task 755 3 [46019]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06706, task 1668 4 [50503]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07602, task 1813 5 [77251]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03257, task 805 5 [103414]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05687, task 1427 3 [18262]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04918, task 1236 4 [73907]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02105, task 515 3 [55253]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00189, task 37 5 [86546]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00954, task 229 5 [15818]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00698, task 179 3 [18209]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10294, task 2018 2 [64231]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05044, task 1251 3 [80285]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06324, task 1587 3 [39460]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07732, task 1827 3 [61188]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07732, task 1828 4 [61189]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01210, task 291 3 [8362]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01210, task 292 4 [8363]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07347, task 1778 2 [116944]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03258, task 820 4 [129300]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03641, task 914 2 [20907]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04790, task 1203 3 [124814]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00190, task 50 2 [70907]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02874, task 722 2 [80171]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05558, task 1394 2 [4796]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02362, task 578 2 [92506]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01593, task 386 2 [75622]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04660, task 1155 3 [18262]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04660, task 1156 4 [18263]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01982, task 500 4 [83112]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01852, task 450 2 [57915]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05813, task 1460 4 [39993]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06198, task 1555 3 [85774]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03130, task 788 4 [70278]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05045, task 1268 4 [23669]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07862, task 1844 4 [100445]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02745, task 690 2 [125182]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03768, task 932 4 [64131]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05686, task 1411 3 [110866]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05686, task 1412 4 [110867]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07475, task 1795 3 [61792]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00057, task 20 4 [115763]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00313, task 69 5 [19622]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04022, task 994 2 [5535]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02619, task 658 2 [28885]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05557, task 1380 4 [118203]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01341, task 322 2 [49550]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03640, task 898 2 [127299]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02496, task 611 3 [64733]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10161, task 2003 3 [8247]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10161, task 2004 4 [8248]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07218, task 1764 4 [19595]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06835, task 1714 2 [111533]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04406, task 1090 2 [69339]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05302, task 1330 2 [83120]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00570, task 132 4 [37300]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00570, task 133 5 [37301]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06578, task 1634 2 [19328]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04281, task 1057 1 [100411]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03895, task 961 1 [75904]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03895, task 962 2 [75905]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00955, task 241 1 [122005]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00955, task 242 2 [122006]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05812, task 1441 1 [64007]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05944, task 1490 2 [9925]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05944, task 1491 3 [9926]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05430, task 1345 1 [57070]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03510, task 865 1 [73829]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06707, task 1682 2 [3492]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03129, task 769 1 [24824]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08115, task 1874 2 [35728]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08115, task 1875 3 [35729]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04023, task 1010 2 [17524]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00056, task 2 2 [115586]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00056, task 3 3 [115587]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01081, task 278 6 [22703]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03769, task 949 5 [19742]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04789, task 1191 7 [22976]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07986, task 1863 7 [88179]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01720, task 422 6 [77678]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02873, task 710 6 [16002]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04151, task 1044 4 [54391]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01853, task 468 4 [33619]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06323, task 1574 6 [68658]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08370, task 1910 6 [93948]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03383, task 853 5 [119885]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06069, task 1524 4 [98048]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04533, task 1142 6 [45659]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01465, task 372 4 [130684]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06454, task 1621 5 [43188]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02497, task 631 7 [121077]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02744, task 677 5 [124480]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01981, task 485 5 [57422]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01721, task 437 5 [70124]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00571, task 152 8 [47654]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06962, task 1733 5 [39625]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02106, task 533 5 [94123]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08882, task 1972 4 [27282]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00447, task 100 4 [115412]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08498, task 1924 4 [42632]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00826, task 198 6 [116817]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06197, task 1540 4 [90005]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04407, task 1108 4 [15842]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01342, task 340 4 [13794]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05175, task 1300 4 [5999]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01080, task 261 5 [28224]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02363, task 597 5 [114056]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05301, task 1318 6 [5985]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier09010, task 1989 5 [68460]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06579, task 1655 7 [26368]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08627, task 1943 7 [20266]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00448, task 117 5 [122616]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06834, task 1703 7 [115054]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10417, task 2036 4 [34273]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04532, task 1124 4 [90129]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08241, task 1894 6 [45431]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04917, task 1221 5 [20039]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00827, task 212 4 [85277]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04661, task 1173 5 [27187]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04150, task 1028 4 [129722]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03511, task 886 6 [125292]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02618, task 645 5 [94207]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00697, task 164 4 [32155]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02234, task 548 4 [112210]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03382, task 838 6 [36049]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03896, task 980 4 [55236]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06068, task 1510 6 [121126]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01594, task 405 5 [28497]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04282, task 1076 4 [8309]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03001, task 740 4 [77924]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01211, task 309 5 [123694]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06453, task 1604 4 [107434]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07090, task 1750 6 [35087]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05431, task 1366 6 [6585]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01464, task 356 4 [99201]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00314, task 84 4 [54646]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08757, task 1958 6 [115537]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05174, task 1286 6 [113210]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05943, task 1476 4 [106508]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02237, task 564 4 [77525]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03002, task 756 4 [46020]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06706, task 1669 5 [50504]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07602, task 1814 6 [77252]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03257, task 806 6 [103415]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05687, task 1428 4 [18263]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04918, task 1237 5 [73908]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02105, task 516 4 [55254]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00189, task 38 6 [86547]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00954, task 230 6 [15819]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00698, task 180 4 [18210]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10294, task 2019 3 [64232]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05044, task 1252 4 [80286]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06324, task 1588 4 [39461]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07732, task 1829 5 [61190]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01210, task 293 5 [8364]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07347, task 1779 3 [116945]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03258, task 821 5 [129301]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03641, task 915 3 [20908]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04790, task 1204 4 [124815]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00190, task 51 3 [70908]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02874, task 723 3 [80172]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05558, task 1395 3 [4797]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02362, task 579 3 [92507]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01593, task 387 3 [75623]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04660, task 1157 5 [18264]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01982, task 501 5 [83113]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01852, task 451 3 [57916]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05813, task 1461 5 [39994]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06198, task 1556 4 [85775]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03130, task 789 5 [70279]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05045, task 1269 5 [23670]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07862, task 1845 5 [100446]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02745, task 691 3 [125183]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03768, task 933 5 [64132]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05686, task 1413 5 [110868]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07475, task 1796 4 [61793]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00057, task 21 5 [115764]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00313, task 70 6 [19623]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04022, task 995 3 [5536]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02619, task 659 3 [28886]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05557, task 1381 5 [118204]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01341, task 323 3 [49551]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03640, task 899 3 [127300]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02496, task 612 4 [64734]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10161, task 2005 5 [8249]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07218, task 1765 5 [19596]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06835, task 1715 3 [111534]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04406, task 1091 3 [69340]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05302, task 1331 3 [83121]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00570, task 134 6 [37302]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06578, task 1635 3 [19329]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06578, task 1636 4 [19330]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04281, task 1058 2 [100412]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03895, task 963 3 [75906]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00955, task 243 3 [122007]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05812, task 1442 2 [64008]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05944, task 1492 4 [9927]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05430, task 1346 2 [57071]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03510, task 866 2 [73830]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06707, task 1683 3 [3493]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06707, task 1684 4 [3495]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03129, task 770 2 [24825]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08115, task 1876 4 [35730]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04023, task 1011 3 [17525]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00056, task 4 4 [115588]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01081, task 279 7 [22704]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03769, task 950 6 [19743]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04789, task 1192 8 [22977]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07986, task 1864 8 [88180]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01720, task 423 7 [77679]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02873, task 711 7 [16003]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04151, task 1045 5 [54392]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01853, task 469 5 [33620]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06323, task 1575 7 [68659]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08370, task 1911 7 [93949]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03383, task 854 6 [119886]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06069, task 1525 5 [98049]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04533, task 1143 7 [45660]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01465, task 373 5 [130685]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06454, task 1622 6 [43189]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02497, task 632 8 [121078]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02744, task 678 6 [124481]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01981, task 486 6 [57423]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01721, task 438 6 [70125]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00571, task 153 9 [47655]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06962, task 1734 6 [39626]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02106, task 534 6 [94124]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08882, task 1973 5 [27283]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00447, task 101 5 [115413]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08498, task 1925 5 [42633]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00826, task 199 7 [116818]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06197, task 1541 5 [90006]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04407, task 1109 5 [15843]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01342, task 341 5 [13795]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05175, task 1301 5 [6000]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01080, task 262 6 [28225]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02363, task 598 6 [114057]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05301, task 1319 7 [5986]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier09010, task 1990 6 [68461]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06579, task 1656 8 [26369]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08627, task 1944 8 [20267]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00448, task 118 6 [122617]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06834, task 1704 8 [115055]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10417, task 2037 5 [34274]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04532, task 1125 5 [90130]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08241, task 1895 7 [45432]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04917, task 1222 6 [20040]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00827, task 213 5 [85278]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04661, task 1174 6 [27188]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04150, task 1029 5 [129723]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03511, task 887 7 [125293]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02618, task 646 6 [94208]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00697, task 165 5 [32156]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02234, task 549 5 [112211]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03382, task 839 7 [36050]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03896, task 981 5 [55237]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06068, task 1511 7 [121127]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01594, task 406 6 [28498]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04282, task 1077 5 [8310]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03001, task 741 5 [77925]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01211, task 310 6 [123695]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06453, task 1605 5 [107435]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07090, task 1751 7 [35088]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05431, task 1367 7 [6586]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01464, task 357 5 [99202]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00314, task 85 5 [54647]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08757, task 1959 7 [115538]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05174, task 1287 7 [113211]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05943, task 1477 5 [106509]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02237, task 565 5 [77526]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03002, task 757 5 [46021]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06706, task 1670 6 [50505]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07602, task 1815 7 [77253]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03257, task 807 7 [103416]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05687, task 1429 5 [18264]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04918, task 1238 6 [73909]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02105, task 517 5 [55255]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00189, task 39 7 [86548]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00954, task 231 7 [15820]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00698, task 181 5 [18211]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10294, task 2020 4 [64233]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05044, task 1253 5 [80287]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06324, task 1589 5 [39462]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07732, task 1830 6 [61191]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01210, task 294 6 [8365]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07347, task 1780 4 [116946]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03258, task 822 6 [129302]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03641, task 916 4 [20909]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04790, task 1205 5 [124816]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00190, task 52 4 [70909]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02874, task 724 4 [80173]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05558, task 1396 4 [4798]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02362, task 580 4 [92508]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01593, task 388 4 [75624]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04660, task 1158 6 [18265]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01982, task 502 6 [83114]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01852, task 452 4 [57917]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05813, task 1462 6 [39995]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06198, task 1557 5 [85776]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03130, task 790 6 [70280]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05045, task 1270 6 [23671]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07862, task 1846 6 [100447]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02745, task 692 4 [125184]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03768, task 934 6 [64133]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05686, task 1414 6 [110869]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07475, task 1797 5 [61794]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00057, task 22 6 [115765]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00313, task 71 7 [19624]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04022, task 996 4 [5537]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02619, task 660 4 [28887]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05557, task 1382 6 [118205]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01341, task 324 4 [49552]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03640, task 900 4 [127301]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02496, task 613 5 [64735]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10161, task 2006 6 [8250]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07218, task 1766 6 [19597]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06835, task 1716 4 [111535]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04406, task 1092 4 [69341]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05302, task 1332 4 [83122]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00570, task 135 7 [37303]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06578, task 1637 5 [19331]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04281, task 1059 3 [100413]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03895, task 964 4 [75907]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00955, task 244 4 [122008]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05812, task 1443 3 [64009]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05944, task 1493 5 [9928]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05430, task 1347 3 [57072]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03510, task 867 3 [73831]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06707, task 1685 5 [3496]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03129, task 771 3 [24826]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08115, task 1877 5 [35731]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04023, task 1012 4 [17526]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00056, task 5 5 [115589]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01081, task 280 8 [22705]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03769, task 951 7 [19744]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04789, task 1193 9 [22978]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07986, task 1865 9 [88181]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01720, task 424 8 [77680]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02873, task 712 8 [16004]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04151, task 1046 6 [54393]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01853, task 470 6 [33621]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06323, task 1576 8 [68660]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08370, task 1912 8 [93950]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03383, task 855 7 [119887]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06069, task 1526 6 [98050]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04533, task 1144 8 [45661]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01465, task 374 6 [130686]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06454, task 1623 7 [43190]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02497, task 633 9 [121079]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02744, task 679 7 [124482]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01981, task 487 7 [57424]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01721, task 439 7 [70126]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00571, task 154 10 [47656]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06962, task 1735 7 [39627]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02106, task 535 7 [94125]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08882, task 1974 6 [27284]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00447, task 102 6 [115414]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08498, task 1926 6 [42634]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00826, task 200 8 [116819]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06197, task 1542 6 [90007]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04407, task 1110 6 [15844]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01342, task 342 6 [13796]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05175, task 1302 6 [6001]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01080, task 263 7 [28226]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02363, task 599 7 [114058]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05301, task 1320 8 [5987]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier09010, task 1991 7 [68462]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06579, task 1657 9 [26370]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08627, task 1945 9 [20268]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00448, task 119 7 [122618]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06834, task 1705 9 [115056]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10417, task 2038 6 [34275]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04532, task 1126 6 [90131]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08241, task 1896 8 [45433]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04917, task 1223 7 [20041]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00827, task 214 6 [85279]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04661, task 1175 7 [27189]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04150, task 1030 6 [129724]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03511, task 888 8 [125294]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02618, task 647 7 [94209]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00697, task 166 6 [32157]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02234, task 550 6 [112212]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03382, task 840 8 [36051]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03896, task 982 6 [55238]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06068, task 1512 8 [121128]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01594, task 407 7 [28499]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04282, task 1078 6 [8311]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03001, task 742 6 [77926]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01211, task 311 7 [123696]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06453, task 1606 6 [107436]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07090, task 1752 8 [35089]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05431, task 1368 8 [6587]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01464, task 358 6 [99203]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00314, task 86 6 [54648]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08757, task 1960 8 [115539]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05174, task 1288 8 [113212]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05943, task 1478 6 [106510]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02237, task 566 6 [77527]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03002, task 758 6 [46022]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06706, task 1671 7 [50506]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07602, task 1816 8 [77254]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03257, task 808 8 [103417]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05687, task 1430 6 [18265]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04918, task 1239 7 [73910]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02105, task 518 6 [55256]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00189, task 40 8 [86549]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00954, task 232 8 [15821]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00698, task 182 6 [18212]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10294, task 2021 5 [64234]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05044, task 1254 6 [80288]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06324, task 1590 6 [39463]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07732, task 1831 7 [61192]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01210, task 295 7 [8366]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07347, task 1781 5 [116947]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03258, task 823 7 [129303]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03641, task 917 5 [20910]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04790, task 1206 6 [124817]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00190, task 53 5 [70910]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02874, task 725 5 [80174]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05558, task 1397 5 [4799]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02362, task 581 5 [92509]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01593, task 389 5 [75625]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04660, task 1159 7 [18266]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01982, task 503 7 [83115]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01852, task 453 5 [57918]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05813, task 1463 7 [39996]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06198, task 1558 6 [85777]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03130, task 791 7 [70281]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05045, task 1271 7 [23672]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07862, task 1847 7 [100448]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02745, task 693 5 [125185]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03768, task 935 7 [64134]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05686, task 1415 7 [110870]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07475, task 1798 6 [61795]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00057, task 23 7 [115766]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00313, task 72 8 [19625]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04022, task 997 5 [5538]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02619, task 661 5 [28888]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05557, task 1383 7 [118206]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01341, task 325 5 [49553]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03640, task 901 5 [127302]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02496, task 614 6 [64736]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10161, task 2007 7 [8251]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07218, task 1767 7 [19598]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06835, task 1717 5 [111536]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04406, task 1093 5 [69342]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05302, task 1333 5 [83123]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00570, task 136 8 [37304]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06578, task 1638 6 [19332]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04281, task 1060 4 [100414]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03895, task 965 5 [75908]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00955, task 245 5 [122009]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05812, task 1444 4 [64010]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05944, task 1494 6 [9929]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05430, task 1348 4 [57073]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03510, task 868 4 [73832]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06707, task 1686 6 [3497]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03129, task 772 4 [24827]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08115, task 1878 6 [35732]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04023, task 1013 5 [17527]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00056, task 6 6 [115590]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01081, task 281 9 [22706]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03769, task 952 8 [19745]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04789, task 1194 10 [22979]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07986, task 1866 10 [88182]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01720, task 425 9 [77681]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02873, task 713 9 [16005]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04151, task 1047 7 [54394]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01853, task 471 7 [33622]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06323, task 1577 9 [68661]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08370, task 1913 9 [93951]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03383, task 856 8 [119888]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06069, task 1527 7 [98051]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04533, task 1145 9 [45662]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01465, task 375 7 [130687]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06454, task 1624 8 [43191]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02497, task 634 10 [121080]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02744, task 680 8 [124483]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01981, task 488 8 [57425]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01721, task 440 8 [70127]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00571, task 155 11 [47657]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06962, task 1736 8 [39628]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02106, task 536 8 [94126]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08882, task 1975 7 [27285]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00447, task 103 7 [115415]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08498, task 1927 7 [42635]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00826, task 201 9 [116820]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06197, task 1543 7 [90008]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04407, task 1111 7 [15845]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01342, task 343 7 [13797]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05175, task 1303 7 [6002]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01080, task 264 8 [28227]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02363, task 600 8 [114059]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05301, task 1321 9 [5988]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier09010, task 1992 8 [68463]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06579, task 1658 10 [26371]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08627, task 1946 10 [20269]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00448, task 120 8 [122619]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06834, task 1706 10 [115057]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10417, task 2039 7 [34276]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04532, task 1127 7 [90132]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08241, task 1897 9 [45434]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04917, task 1224 8 [20042]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00827, task 215 7 [85280]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04661, task 1176 8 [27190]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04150, task 1031 7 [129725]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03511, task 889 9 [125295]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02618, task 648 8 [94210]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00697, task 167 7 [32158]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02234, task 551 7 [112213]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03382, task 841 9 [36052]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03896, task 983 7 [55239]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06068, task 1513 9 [121129]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01594, task 408 8 [28500]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04282, task 1079 7 [8312]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03001, task 743 7 [77927]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01211, task 312 8 [123697]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06453, task 1607 7 [107437]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07090, task 1753 9 [35090]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05431, task 1369 9 [6588]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01464, task 359 7 [99204]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00314, task 87 7 [54649]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08757, task 1961 9 [115540]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05174, task 1289 9 [113213]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05943, task 1479 7 [106511]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02237, task 567 7 [77528]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03002, task 759 7 [46023]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06706, task 1672 8 [50507]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07602, task 1817 9 [77255]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03257, task 809 9 [103418]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05687, task 1431 7 [18266]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04918, task 1240 8 [73911]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02105, task 519 7 [55257]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00189, task 41 9 [86550]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00954, task 233 9 [15822]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00698, task 183 7 [18213]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10294, task 2022 6 [64235]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05044, task 1255 7 [80289]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06324, task 1591 7 [39464]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07732, task 1832 8 [61193]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01210, task 296 8 [8367]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07347, task 1782 6 [116948]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03258, task 824 8 [129304]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03641, task 918 6 [20911]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04790, task 1207 7 [124818]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00190, task 54 6 [70911]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02874, task 726 6 [80175]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05558, task 1398 6 [4800]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02362, task 582 6 [92510]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01593, task 390 6 [75626]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04660, task 1160 8 [18267]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01982, task 504 8 [83116]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01852, task 454 6 [57919]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05813, task 1464 8 [39997]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06198, task 1559 7 [85778]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03130, task 792 8 [70282]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05045, task 1272 8 [23673]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07862, task 1848 8 [100449]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02745, task 694 6 [125186]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03768, task 936 8 [64135]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05686, task 1416 8 [110871]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07475, task 1799 7 [61796]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00057, task 24 8 [115767]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00313, task 73 9 [19626]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04022, task 998 6 [5539]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02619, task 662 6 [28889]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05557, task 1384 8 [118207]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01341, task 326 6 [49554]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03640, task 902 6 [127303]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02496, task 615 7 [64737]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10161, task 2008 8 [8252]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07218, task 1768 8 [19599]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06835, task 1718 6 [111537]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04406, task 1094 6 [69343]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05302, task 1334 6 [83124]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00570, task 137 9 [37305]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06578, task 1639 7 [19333]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04281, task 1061 5 [100415]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03895, task 966 6 [75909]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00955, task 246 6 [122010]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05812, task 1445 5 [64011]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05944, task 1495 7 [9930]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05430, task 1349 5 [57074]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03510, task 869 5 [73833]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06707, task 1687 7 [3498]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03129, task 773 5 [24828]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08115, task 1879 7 [35733]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04023, task 1014 6 [17528]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00056, task 7 7 [115591]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01081, task 282 10 [22707]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03769, task 953 9 [19746]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04789, task 1195 11 [22980]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07986, task 1867 11 [88183]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01720, task 426 10 [77682]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02873, task 714 10 [16006]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04151, task 1048 8 [54395]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01853, task 472 8 [33623]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06323, task 1578 10 [68662]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08370, task 1914 10 [93952]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03383, task 857 9 [119889]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06069, task 1528 8 [98052]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04533, task 1146 10 [45663]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01465, task 376 8 [130688]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06454, task 1625 9 [43192]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02497, task 635 11 [121081]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02744, task 681 9 [124484]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01981, task 489 9 [57426]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01721, task 441 9 [70128]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00571, task 156 12 [47658]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06962, task 1737 9 [39629]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02106, task 537 9 [94127]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08882, task 1976 8 [27286]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00447, task 104 8 [115416]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08498, task 1928 8 [42636]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00826, task 202 10 [116821]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06197, task 1544 8 [90009]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04407, task 1112 8 [15846]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01342, task 344 8 [13798]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05175, task 1304 8 [6003]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01080, task 265 9 [28228]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02363, task 601 9 [114060]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05301, task 1322 10 [5989]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier09010, task 1993 9 [68464]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06579, task 1659 11 [26372]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08627, task 1947 11 [20270]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00448, task 121 9 [122620]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06834, task 1707 11 [115058]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10417, task 2040 8 [34277]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04532, task 1128 8 [90133]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08241, task 1898 10 [45435]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04917, task 1225 9 [20043]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00827, task 216 8 [85281]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04661, task 1177 9 [27191]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04150, task 1032 8 [129726]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03511, task 890 10 [125296]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02618, task 649 9 [94211]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00697, task 168 8 [32159]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02234, task 552 8 [112214]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03382, task 842 10 [36053]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03896, task 984 8 [55240]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06068, task 1514 10 [121130]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01594, task 409 9 [28501]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04282, task 1080 8 [8313]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03001, task 744 8 [77928]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01211, task 313 9 [123698]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06453, task 1608 8 [107438]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07090, task 1754 10 [35091]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05431, task 1370 10 [6589]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01464, task 360 8 [99205]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00314, task 88 8 [54650]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08757, task 1962 10 [115541]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05174, task 1290 10 [113214]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05943, task 1480 8 [106512]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02237, task 568 8 [77529]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03002, task 760 8 [46024]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06706, task 1673 9 [50508]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07602, task 1818 10 [77256]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03257, task 810 10 [103419]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05687, task 1432 8 [18267]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04918, task 1241 9 [73912]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02105, task 520 8 [55258]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00189, task 42 10 [86551]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00954, task 234 10 [15823]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00698, task 184 8 [18214]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10294, task 2023 7 [64236]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05044, task 1256 8 [80290]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06324, task 1592 8 [39465]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07732, task 1833 9 [61194]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01210, task 297 9 [8368]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07347, task 1783 7 [116949]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03258, task 825 9 [129305]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03641, task 919 7 [20912]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04790, task 1208 8 [124819]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00190, task 55 7 [70912]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02874, task 727 7 [80176]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05558, task 1399 7 [4801]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02362, task 583 7 [92511]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01593, task 391 7 [75627]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04660, task 1161 9 [18268]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01982, task 505 9 [83117]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01852, task 455 7 [57920]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05813, task 1465 9 [39998]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06198, task 1560 8 [85779]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03130, task 793 9 [70283]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05045, task 1273 9 [23674]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07862, task 1849 9 [100450]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02745, task 695 7 [125187]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03768, task 937 9 [64136]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05686, task 1417 9 [110872]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07475, task 1800 8 [61797]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00057, task 25 9 [115768]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00313, task 74 10 [19627]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04022, task 999 7 [5540]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02619, task 663 7 [28890]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05557, task 1385 9 [118208]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01341, task 327 7 [49555]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03640, task 903 7 [127304]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02496, task 616 8 [64738]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10161, task 2009 9 [8253]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07218, task 1769 9 [19600]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06835, task 1719 7 [111538]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04406, task 1095 7 [69344]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05302, task 1335 7 [83125]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00570, task 138 10 [37306]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06578, task 1640 8 [19334]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04281, task 1062 6 [100416]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03895, task 967 7 [75910]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00955, task 247 7 [122011]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05812, task 1446 6 [64012]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05944, task 1496 8 [9931]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05430, task 1350 6 [57075]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03510, task 870 6 [73834]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06707, task 1688 8 [3499]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03129, task 774 6 [24829]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08115, task 1880 8 [35734]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04023, task 1015 7 [17529]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00056, task 8 8 [115592]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01081, task 283 11 [22708]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03769, task 954 10 [19747]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04789, task 1196 12 [22981]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07986, task 1868 12 [88184]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01720, task 427 11 [77683]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02873, task 715 11 [16007]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04151, task 1049 9 [54396]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01853, task 473 9 [33624]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06323, task 1579 11 [68663]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08370, task 1915 11 [93953]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03383, task 858 10 [119890]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06069, task 1529 9 [98053]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04533, task 1147 11 [45664]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01465, task 377 9 [130689]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06454, task 1626 10 [43193]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02497, task 636 12 [121082]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02744, task 682 10 [124485]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01981, task 490 10 [57427]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01721, task 442 10 [70129]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00571, task 157 13 [47659]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06962, task 1738 10 [39630]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02106, task 538 10 [94128]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08882, task 1977 9 [27287]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00447, task 105 9 [115417]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08498, task 1929 9 [42637]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00826, task 203 11 [116822]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06197, task 1545 9 [90010]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04407, task 1113 9 [15847]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01342, task 345 9 [13799]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05175, task 1305 9 [6004]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01080, task 266 10 [28229]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02363, task 602 10 [114061]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05301, task 1323 11 [5990]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier09010, task 1994 10 [68465]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06579, task 1660 12 [26373]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08627, task 1948 12 [20271]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00448, task 122 10 [122621]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06834, task 1708 12 [115059]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10417, task 2041 9 [34278]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04532, task 1129 9 [90134]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08241, task 1899 11 [45436]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04917, task 1226 10 [20044]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00827, task 217 9 [85282]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04661, task 1178 10 [27192]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04150, task 1033 9 [129727]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03511, task 891 11 [125297]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02618, task 650 10 [94212]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00697, task 169 9 [32160]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02234, task 553 9 [112215]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03382, task 843 11 [36054]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03896, task 985 9 [55241]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06068, task 1515 11 [121131]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01594, task 410 10 [28502]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04282, task 1081 9 [8314]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03001, task 745 9 [77929]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01211, task 314 10 [123699]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06453, task 1609 9 [107439]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07090, task 1755 11 [35092]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05431, task 1371 11 [6590]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01464, task 361 9 [99206]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00314, task 89 9 [54651]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08757, task 1963 11 [115542]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05174, task 1291 11 [113215]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05943, task 1481 9 [106513]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02237, task 569 9 [77530]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03002, task 761 9 [46025]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06706, task 1674 10 [50509]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07602, task 1819 11 [77257]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03257, task 811 11 [103420]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05687, task 1433 9 [18268]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04918, task 1242 10 [73913]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02105, task 521 9 [55259]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00189, task 43 11 [86552]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00954, task 235 11 [15824]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00698, task 185 9 [18215]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10294, task 2024 8 [64237]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05044, task 1257 9 [80291]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06324, task 1593 9 [39466]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07732, task 1834 10 [61195]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01210, task 298 10 [8369]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07347, task 1784 8 [116950]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03258, task 826 10 [129306]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03641, task 920 8 [20913]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04790, task 1209 9 [124820]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00190, task 56 8 [70913]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02874, task 728 8 [80177]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05558, task 1400 8 [4802]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02362, task 584 8 [92512]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01593, task 392 8 [75628]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04660, task 1162 10 [18269]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01982, task 506 10 [83118]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01852, task 456 8 [57921]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05813, task 1466 10 [39999]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06198, task 1561 9 [85780]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03130, task 794 10 [70284]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05045, task 1274 10 [23675]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07862, task 1850 10 [100451]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02745, task 696 8 [125188]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03768, task 938 10 [64137]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05686, task 1418 10 [110873]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07475, task 1801 9 [61798]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00057, task 26 10 [115769]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00313, task 75 11 [19628]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04022, task 1000 8 [5541]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02619, task 664 8 [28891]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05557, task 1386 10 [118209]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01341, task 328 8 [49556]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03640, task 904 8 [127305]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02496, task 617 9 [64739]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10161, task 2010 10 [8254]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07218, task 1770 10 [19601]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06835, task 1720 8 [111539]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04406, task 1096 8 [69345]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05302, task 1336 8 [83126]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00570, task 139 11 [37307]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06578, task 1641 9 [19335]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04281, task 1063 7 [100417]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03895, task 968 8 [75911]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00955, task 248 8 [122012]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05812, task 1447 7 [64013]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05944, task 1497 9 [9932]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05430, task 1351 7 [57076]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03510, task 871 7 [73835]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06707, task 1689 9 [3500]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03129, task 775 7 [24830]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08115, task 1881 9 [35735]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04023, task 1016 8 [17530]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00056, task 9 9 [115593]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01081, task 284 12 [22709]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03769, task 955 11 [19748]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04789, task 1197 13 [22982]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07986, task 1869 13 [88185]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01720, task 428 12 [77684]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02873, task 716 12 [16008]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04151, task 1050 10 [54397]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01853, task 474 10 [33625]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06323, task 1580 12 [68664]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08370, task 1916 12 [93954]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03383, task 859 11 [119891]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06069, task 1530 10 [98054]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04533, task 1148 12 [45665]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01465, task 378 10 [130690]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06454, task 1627 11 [43194]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02497, task 637 13 [121083]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02744, task 683 11 [124486]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01981, task 491 11 [57428]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01721, task 443 11 [70130]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00571, task 158 14 [47660]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06962, task 1739 11 [39631]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02106, task 539 11 [94129]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08882, task 1978 10 [27288]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00447, task 106 10 [115418]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08498, task 1930 10 [42638]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00826, task 204 12 [116823]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06197, task 1546 10 [90011]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04407, task 1114 10 [15848]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01342, task 346 10 [13800]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05175, task 1306 10 [6005]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01080, task 267 11 [28230]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02363, task 603 11 [114062]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05301, task 1324 12 [5991]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier09010, task 1995 11 [68466]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06579, task 1661 13 [26374]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08627, task 1949 13 [20272]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00448, task 123 11 [122622]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06834, task 1709 13 [115060]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier10417, task 2042 10 [34279]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04532, task 1130 10 [90135]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08241, task 1900 12 [45437]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04917, task 1227 11 [20045]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00827, task 218 10 [85283]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04661, task 1179 11 [27193]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04150, task 1034 10 [129728]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03511, task 892 12 [125298]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02618, task 651 11 [94213]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00697, task 170 10 [32161]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02234, task 554 10 [112216]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03382, task 844 12 [36055]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03896, task 986 10 [55242]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06068, task 1516 12 [121132]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01594, task 411 11 [28503]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04282, task 1082 10 [8315]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03001, task 746 10 [77930]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01211, task 315 11 [123700]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06453, task 1610 10 [107440]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07090, task 1756 12 [35093]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05431, task 1372 12 [6591]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01464, task 362 10 [99207]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00314, task 90 10 [54652]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08757, task 1964 12 [115543]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05174, task 1292 12 [113216]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05943, task 1482 10 [106514]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02237, task 570 10 [77531]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03002, task 762 10 [46026]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06706, task 1675 11 [50510]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07602, task 1820 12 [77258]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03257, task 812 12 [103421]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05687, task 1434 10 [18269]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04918, task 1243 11 [73914]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02105, task 522 10 [55260]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00189, task 44 12 [86553]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00954, task 236 12 [15825]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00698, task 186 10 [18216]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10294, task 2025 9 [64238]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05044, task 1258 10 [80292]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06324, task 1594 10 [39467]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07732, task 1835 11 [61196]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01210, task 299 11 [8370]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07347, task 1785 9 [116951]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03258, task 827 11 [129307]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03641, task 921 9 [20914]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04790, task 1210 10 [124821]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00190, task 57 9 [70914]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02874, task 729 9 [80178]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05558, task 1401 9 [4803]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02362, task 585 9 [92513]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01593, task 393 9 [75629]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04660, task 1163 11 [18270]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01982, task 507 11 [83119]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01852, task 457 9 [57922]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05813, task 1467 11 [40000]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06198, task 1562 10 [85781]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03130, task 795 11 [70285]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05045, task 1275 11 [23676]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07862, task 1851 11 [100452]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02745, task 697 9 [125189]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03768, task 939 11 [64138]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05686, task 1419 11 [110874]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07475, task 1802 10 [61799]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00057, task 27 11 [115770]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00313, task 76 12 [19629]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04022, task 1001 9 [5542]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02619, task 665 9 [28892]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05557, task 1387 11 [118210]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01341, task 329 9 [49557]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03640, task 905 9 [127306]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02496, task 618 10 [64740]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10161, task 2011 11 [8255]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07218, task 1771 11 [19602]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06835, task 1721 9 [111540]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04406, task 1097 9 [69346]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05302, task 1337 9 [83127]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00570, task 140 12 [37308]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06578, task 1642 10 [19336]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04281, task 1064 8 [100418]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03895, task 969 9 [75912]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00955, task 249 9 [122013]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05812, task 1448 8 [64014]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05944, task 1498 10 [9933]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05430, task 1352 8 [57077]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03510, task 872 8 [73836]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06707, task 1690 10 [3501]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03129, task 776 8 [24831]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08115, task 1882 10 [35736]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04023, task 1017 9 [17531]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00056, task 10 10 [115594]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01081, task 285 13 [22710]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03769, task 956 12 [19749]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04789, task 1198 14 [22983]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07986, task 1870 14 [88186]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01720, task 429 13 [77685]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02873, task 717 13 [16009]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04151, task 1051 11 [54398]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01853, task 475 11 [33626]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06323, task 1581 13 [68665]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08370, task 1917 13 [93955]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03383, task 860 12 [119892]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06069, task 1531 11 [98055]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04533, task 1149 13 [45666]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01465, task 379 11 [130691]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06454, task 1628 12 [43195]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02497, task 638 14 [121084]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02744, task 684 12 [124487]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01981, task 492 12 [57429]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01721, task 444 12 [70131]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00571, task 159 15 [47661]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06962, task 1740 12 [39632]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02106, task 540 12 [94130]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08882, task 1979 11 [27289]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00447, task 107 11 [115419]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08498, task 1931 11 [42639]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00826, task 205 13 [116824]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06197, task 1547 11 [90012]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04407, task 1115 11 [15849]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01342, task 347 11 [13801]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05175, task 1307 11 [6006]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01080, task 268 12 [28231]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02363, task 604 12 [114063]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05301, task 1325 13 [5992]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier09010, task 1996 12 [68467]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06579, task 1662 14 [26375]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08627, task 1950 14 [20273]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00448, task 124 12 [122623]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06834, task 1710 14 [115061]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10417, task 2043 11 [34280]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04532, task 1131 11 [90136]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08241, task 1901 13 [45438]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04917, task 1228 12 [20046]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00827, task 219 11 [85284]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04661, task 1180 12 [27194]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04150, task 1035 11 [129729]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03511, task 893 13 [125299]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02618, task 652 12 [94214]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00697, task 171 11 [32162]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02234, task 555 11 [112217]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03382, task 845 13 [36056]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03896, task 987 11 [55243]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06068, task 1517 13 [121133]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01594, task 412 12 [28504]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04282, task 1083 11 [8316]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03001, task 747 11 [77931]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01211, task 316 12 [123701]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06453, task 1611 11 [107441]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07090, task 1757 13 [35094]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05431, task 1373 13 [6592]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01464, task 363 11 [99208]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00314, task 91 11 [54653]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08757, task 1965 13 [115544]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05174, task 1293 13 [113217]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05943, task 1483 11 [106515]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02237, task 571 11 [77532]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03002, task 763 11 [46027]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06706, task 1676 12 [50511]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07602, task 1821 13 [77259]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03257, task 813 13 [103422]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05687, task 1435 11 [18270]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04918, task 1244 12 [73915]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02105, task 523 11 [55261]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00189, task 45 13 [86554]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00954, task 237 13 [15826]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00698, task 187 11 [18217]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10294, task 2026 10 [64239]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05044, task 1259 11 [80293]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06324, task 1595 11 [39468]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07732, task 1836 12 [61197]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01210, task 300 12 [8371]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07347, task 1786 10 [116952]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03258, task 828 12 [129308]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03641, task 922 10 [20915]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04790, task 1211 11 [124822]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00190, task 58 10 [70915]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02874, task 730 10 [80179]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05558, task 1402 10 [4804]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02362, task 586 10 [92514]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01593, task 394 10 [75630]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04660, task 1164 12 [18271]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01982, task 508 12 [83120]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01852, task 458 10 [57923]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05813, task 1468 12 [40001]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06198, task 1563 11 [85782]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03130, task 796 12 [70286]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05045, task 1276 12 [23677]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07862, task 1852 12 [100453]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02745, task 698 10 [125190]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03768, task 940 12 [64139]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05686, task 1420 12 [110875]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07475, task 1803 11 [61800]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00057, task 28 12 [115771]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00313, task 77 13 [19630]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04022, task 1002 10 [5543]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02619, task 666 10 [28893]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05557, task 1388 12 [118211]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01341, task 330 10 [49558]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03640, task 906 10 [127307]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02496, task 619 11 [64741]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10161, task 2012 12 [8256]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07218, task 1772 12 [19603]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06835, task 1722 10 [111541]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04406, task 1098 10 [69347]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05302, task 1338 10 [83128]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00570, task 141 13 [37309]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06578, task 1643 11 [19337]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04281, task 1065 9 [100419]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03895, task 970 10 [75913]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00955, task 250 10 [122014]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05812, task 1449 9 [64015]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05944, task 1499 11 [9934]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05430, task 1353 9 [57078]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03510, task 873 9 [73837]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06707, task 1691 11 [3502]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03129, task 777 9 [24832]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08115, task 1883 11 [35737]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04023, task 1018 10 [17532]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00056, task 11 11 [115595]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01081, task 286 14 [22711]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03769, task 957 13 [19750]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04789, task 1199 15 [22984]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07986, task 1871 15 [88187]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01720, task 430 14 [77686]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02873, task 718 14 [16010]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04151, task 1052 12 [54399]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01853, task 476 12 [33627]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06323, task 1582 14 [68666]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08370, task 1918 14 [93956]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03383, task 861 13 [119893]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06069, task 1532 12 [98056]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04533, task 1150 14 [45667]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01465, task 380 12 [130692]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06454, task 1629 13 [43196]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02497, task 639 15 [121085]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02744, task 685 13 [124488]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01981, task 493 13 [57430]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01721, task 445 13 [70132]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06962, task 1741 13 [39633]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02106, task 541 13 [94131]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08882, task 1980 12 [27290]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00447, task 108 12 [115420]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08498, task 1932 12 [42640]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00826, task 206 14 [116825]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06197, task 1548 12 [90013]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04407, task 1116 12 [15850]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01342, task 348 12 [13802]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05175, task 1308 12 [6007]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01080, task 269 13 [28232]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02363, task 605 13 [114064]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05301, task 1326 14 [5993]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier09010, task 1997 13 [68468]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06579, task 1663 15 [26376]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08627, task 1951 15 [20274]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00448, task 125 13 [122624]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06834, task 1711 15 [115062]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10417, task 2044 12 [34281]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04532, task 1132 12 [90137]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08241, task 1902 14 [45439]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04917, task 1229 13 [20047]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00827, task 220 12 [85285]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04661, task 1181 13 [27195]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04150, task 1036 12 [129730]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03511, task 894 14 [125300]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02618, task 653 13 [94215]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00697, task 172 12 [32163]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02234, task 556 12 [112218]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03382, task 846 14 [36057]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03896, task 988 12 [55244]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06068, task 1518 14 [121134]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01594, task 413 13 [28505]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04282, task 1084 12 [8317]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03001, task 748 12 [77932]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01211, task 317 13 [123702]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06453, task 1612 12 [107442]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07090, task 1758 14 [35095]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05431, task 1374 14 [6593]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01464, task 364 12 [99209]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00314, task 92 12 [54654]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08757, task 1966 14 [115545]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05174, task 1294 14 [113218]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05943, task 1484 12 [106516]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02237, task 572 12 [77533]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03002, task 764 12 [46028]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06706, task 1677 13 [50512]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07602, task 1822 14 [77260]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03257, task 814 14 [103423]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05687, task 1436 12 [18271]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04918, task 1245 13 [73916]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02105, task 524 12 [55262]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00189, task 46 14 [86555]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00954, task 238 14 [15827]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00698, task 188 12 [18218]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10294, task 2027 11 [64240]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05044, task 1260 12 [80294]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06324, task 1596 12 [39469]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07732, task 1837 13 [61198]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01210, task 301 13 [8372]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07347, task 1787 11 [116953]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03258, task 829 13 [129309]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03641, task 923 11 [20916]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04790, task 1212 12 [124823]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00190, task 59 11 [70916]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02874, task 731 11 [80180]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05558, task 1403 11 [4805]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02362, task 587 11 [92515]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01593, task 395 11 [75631]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04660, task 1165 13 [18272]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01982, task 509 13 [83121]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01852, task 459 11 [57924]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05813, task 1469 13 [40002]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06198, task 1564 12 [85783]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03130, task 797 13 [70287]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05045, task 1277 13 [23678]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07862, task 1853 13 [100454]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02745, task 699 11 [125191]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03768, task 941 13 [64140]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05686, task 1421 13 [110876]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07475, task 1804 12 [61801]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00057, task 29 13 [115772]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00313, task 78 14 [19631]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04022, task 1003 11 [5544]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02619, task 667 11 [28894]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05557, task 1389 13 [118212]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01341, task 331 11 [49559]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03640, task 907 11 [127308]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02496, task 620 12 [64742]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10161, task 2013 13 [8257]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07218, task 1773 13 [19604]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06835, task 1723 11 [111542]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04406, task 1099 11 [69348]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05302, task 1339 11 [83129]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00570, task 142 14 [37310]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06578, task 1644 12 [19338]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04281, task 1066 10 [100420]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03895, task 971 11 [75914]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00955, task 251 11 [122015]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05812, task 1450 10 [64016]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05944, task 1500 12 [9935]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05430, task 1354 10 [57079]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03510, task 874 10 [73838]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06707, task 1692 12 [3503]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03129, task 778 10 [24833]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08115, task 1884 12 [35738]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04023, task 1019 11 [17533]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00056, task 12 12 [115596]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01081, task 287 15 [22712]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03769, task 958 14 [19751]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01720, task 431 15 [77687]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02873, task 719 15 [16011]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04151, task 1053 13 [54400]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01853, task 477 13 [33628]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06323, task 1583 15 [68667]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08370, task 1919 15 [93957]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03383, task 862 14 [119894]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06069, task 1533 13 [98057]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04533, task 1151 15 [45668]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01465, task 381 13 [130693]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06454, task 1630 14 [43197]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02744, task 686 14 [124489]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01981, task 494 14 [57431]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01721, task 446 14 [70133]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06962, task 1742 14 [39634]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02106, task 542 14 [94132]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08882, task 1981 13 [27291]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00447, task 109 13 [115421]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08498, task 1933 13 [42641]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00826, task 207 15 [116826]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06197, task 1549 13 [90014]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04407, task 1117 13 [15851]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01342, task 349 13 [13803]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05175, task 1309 13 [6008]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01080, task 270 14 [28233]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02363, task 606 14 [114065]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05301, task 1327 15 [5994]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier09010, task 1998 14 [68469]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00448, task 126 14 [122625]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10417, task 2045 13 [34282]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04532, task 1133 13 [90138]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08241, task 1903 15 [45440]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04917, task 1230 14 [20048]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00827, task 221 13 [85286]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04661, task 1182 14 [27196]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04150, task 1037 13 [129731]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03511, task 895 15 [125301]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02618, task 654 14 [94216]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00697, task 173 13 [32164]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02234, task 557 13 [112219]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03382, task 847 15 [36058]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03896, task 989 13 [55245]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06068, task 1519 15 [121135]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01594, task 414 14 [28506]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04282, task 1085 13 [8318]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03001, task 749 13 [77933]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01211, task 318 14 [123703]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06453, task 1613 13 [107443]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07090, task 1759 15 [35096]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05431, task 1375 15 [6594]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01464, task 365 13 [99210]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00314, task 93 13 [54655]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08757, task 1967 15 [115546]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05174, task 1295 15 [113219]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05943, task 1485 13 [106517]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02237, task 573 13 [77534]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03002, task 765 13 [46029]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06706, task 1678 14 [50513]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07602, task 1823 15 [77261]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03257, task 815 15 [103424]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05687, task 1437 13 [18272]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04918, task 1246 14 [73917]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02105, task 525 13 [55263]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00189, task 47 15 [86556]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00954, task 239 15 [15828]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00698, task 189 13 [18219]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier10294, task 2028 12 [64241]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05044, task 1261 13 [80295]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06324, task 1597 13 [39470]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07732, task 1838 14 [61199]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01210, task 302 14 [8373]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07347, task 1788 12 [116954]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03258, task 830 14 [129310]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03641, task 924 12 [20917]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04790, task 1213 13 [124824]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00190, task 60 12 [70917]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02874, task 732 12 [80181]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05558, task 1404 12 [4806]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02362, task 588 12 [92516]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01593, task 396 12 [75632]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04660, task 1166 14 [18273]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01982, task 510 14 [83122]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01852, task 460 12 [57925]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05813, task 1470 14 [40003]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06198, task 1565 13 [85784]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03130, task 798 14 [70288]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05045, task 1278 14 [23679]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07862, task 1854 14 [100455]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02745, task 700 12 [125192]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03768, task 942 14 [64141]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05686, task 1422 14 [110877]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07475, task 1805 13 [61802]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00057, task 30 14 [115773]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00313, task 79 15 [19632]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04022, task 1004 12 [5545]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02619, task 668 12 [28895]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05557, task 1390 14 [118213]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01341, task 332 12 [49560]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03640, task 908 12 [127309]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02496, task 621 13 [64743]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier10161, task 2014 14 [8258]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07218, task 1774 14 [19605]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06835, task 1724 12 [111543]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04406, task 1100 12 [69349]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05302, task 1340 12 [83130]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00570, task 143 15 [37311]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06578, task 1645 13 [19339]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04281, task 1067 11 [100421]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03895, task 972 12 [75915]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00955, task 252 12 [122016]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05812, task 1451 11 [64017]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05944, task 1501 13 [9936]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05430, task 1355 11 [57080]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03510, task 875 11 [73839]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06707, task 1693 13 [3504]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03129, task 779 11 [24834]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08115, task 1885 13 [35739]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04023, task 1020 12 [17534]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00056, task 13 13 [115597]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03769, task 959 15 [19752]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04151, task 1054 14 [54401]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01853, task 478 14 [33629]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03383, task 863 15 [119895]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06069, task 1534 14 [98058]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01465, task 382 14 [130694]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06454, task 1631 15 [43198]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02744, task 687 15 [124490]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01981, task 495 15 [57432]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01721, task 447 15 [70134]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06962, task 1743 15 [39635]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02106, task 543 15 [94133]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08882, task 1982 14 [27292]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00447, task 110 14 [115422]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08498, task 1934 14 [42642]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06197, task 1550 14 [90015]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04407, task 1118 14 [15852]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01342, task 350 14 [13804]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05175, task 1310 14 [6009]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01080, task 271 15 [28234]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02363, task 607 15 [114066]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier09010, task 1999 15 [68470]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00448, task 127 15 [122626]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10417, task 2046 14 [34283]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04532, task 1134 14 [90139]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04917, task 1231 15 [20049]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00827, task 222 14 [85287]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04661, task 1183 15 [27197]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04150, task 1038 14 [129732]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02618, task 655 15 [94217]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00697, task 174 14 [32165]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02234, task 558 14 [112220]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03896, task 990 14 [55246]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01594, task 415 15 [28507]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04282, task 1086 14 [8319]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03001, task 750 14 [77934]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01211, task 319 15 [123704]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06453, task 1614 14 [107444]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01464, task 366 14 [99211]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00314, task 94 14 [54656]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05943, task 1486 14 [106518]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02237, task 574 14 [77535]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03002, task 766 14 [46030]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06706, task 1679 15 [50514]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05687, task 1438 14 [18273]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04918, task 1247 15 [73918]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02105, task 526 14 [55264]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00698, task 190 14 [18220]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10294, task 2029 13 [64242]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05044, task 1262 14 [80296]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06324, task 1598 14 [39471]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07732, task 1839 15 [61200]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01210, task 303 15 [8374]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07347, task 1789 13 [116955]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03258, task 831 15 [129311]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03641, task 925 13 [20918]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04790, task 1214 14 [124825]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00190, task 61 13 [70918]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02874, task 733 13 [80182]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05558, task 1405 13 [4807]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02362, task 589 13 [92517]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01593, task 397 13 [75633]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04660, task 1167 15 [18274]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01982, task 511 15 [83123]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01852, task 461 13 [57926]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05813, task 1471 15 [40004]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06198, task 1566 14 [85785]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03130, task 799 15 [70289]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05045, task 1279 15 [23680]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07862, task 1855 15 [100456]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02745, task 701 13 [125193]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03768, task 943 15 [64142]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05686, task 1423 15 [110878]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07475, task 1806 14 [61803]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00057, task 31 15 [115774]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04022, task 1005 13 [5546]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02619, task 669 13 [28896]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05557, task 1391 15 [118214]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01341, task 333 13 [49561]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03640, task 909 13 [127310]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02496, task 622 14 [64744]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10161, task 2015 15 [8259]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07218, task 1775 15 [19606]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06835, task 1725 13 [111544]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04406, task 1101 13 [69350]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05302, task 1341 13 [83131]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06578, task 1646 14 [19340]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04281, task 1068 12 [100422]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03895, task 973 13 [75916]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00955, task 253 13 [122017]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05812, task 1452 12 [64018]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05944, task 1502 14 [9937]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05430, task 1356 12 [57081]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03510, task 876 12 [73840]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06707, task 1694 14 [3505]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03129, task 780 12 [24835]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08115, task 1886 14 [35740]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04023, task 1021 13 [17535]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00056, task 14 14 [115598]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04151, task 1055 15 [54402]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01853, task 479 15 [33630]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06069, task 1535 15 [98059]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01465, task 383 15 [130695]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08882, task 1983 15 [27293]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00447, task 111 15 [115423]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08498, task 1935 15 [42643]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06197, task 1551 15 [90016]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04407, task 1119 15 [15853]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01342, task 351 15 [13805]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05175, task 1311 15 [6010]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10417, task 2047 15 [34284]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04532, task 1135 15 [90140]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00827, task 223 15 [85288]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04150, task 1039 15 [129733]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00697, task 175 15 [32166]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02234, task 559 15 [112221]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03896, task 991 15 [55247]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04282, task 1087 15 [8320]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03001, task 751 15 [77935]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06453, task 1615 15 [107445]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01464, task 367 15 [99212]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00314, task 95 15 [54657]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05943, task 1487 15 [106519]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02237, task 575 15 [77536]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03002, task 767 15 [46031]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05687, task 1439 15 [18274]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02105, task 527 15 [55265]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00698, task 191 15 [18221]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10294, task 2030 14 [64243]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05044, task 1263 15 [80297]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06324, task 1599 15 [39472]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07347, task 1790 14 [116956]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03641, task 926 14 [20919]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04790, task 1215 15 [124826]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00190, task 62 14 [70919]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02874, task 734 14 [80183]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05558, task 1406 14 [4808]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02362, task 590 14 [92518]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01593, task 398 14 [75634]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01852, task 462 14 [57927]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06198, task 1567 15 [85786]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02745, task 702 14 [125194]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07475, task 1807 15 [61804]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04022, task 1006 14 [5547]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02619, task 670 14 [28897]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01341, task 334 14 [49562]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03640, task 910 14 [127311]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02496, task 623 15 [64745]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06835, task 1726 14 [111545]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04406, task 1102 14 [69351]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05302, task 1342 14 [83132]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06578, task 1647 15 [19341]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04281, task 1069 13 [100423]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03895, task 974 14 [75917]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00955, task 254 14 [122018]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05812, task 1453 13 [64019]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05944, task 1503 15 [9938]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05430, task 1357 13 [57082]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03510, task 877 13 [73841]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06707, task 1695 15 [3506]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03129, task 781 13 [24836]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08115, task 1887 15 [35741]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04023, task 1022 14 [17536]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00056, task 15 15 [115599]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10294, task 2031 15 [64244]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07347, task 1791 15 [116957]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03641, task 927 15 [20920]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00190, task 63 15 [70920]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02874, task 735 15 [80184]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05558, task 1407 15 [4809]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02362, task 591 15 [92519]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01593, task 399 15 [75635]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01852, task 463 15 [57928]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02745, task 703 15 [125195]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04022, task 1007 15 [5548]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02619, task 671 15 [28898]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01341, task 335 15 [49563]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03640, task 911 15 [127312]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06835, task 1727 15 [111546]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04406, task 1103 15 [69352]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05302, task 1343 15 [83133]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04281, task 1070 14 [100424]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03895, task 975 15 [75918]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00955, task 255 15 [122019]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05812, task 1454 14 [64020]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05430, task 1358 14 [57083]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03510, task 878 14 [73842]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03129, task 782 14 [24837]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04023, task 1023 15 [17537]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04281, task 1071 15 [100425]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05812, task 1455 15 [64021]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05430, task 1359 15 [57084]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03510, task 879 15 [73843]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03129, task 783 15 [24838]: mask 0x70000000000000007000000000000000 set
*******************************************************
* *
* GAMESS VERSION = 30 JUN 2023 (R1) *
* *
* doi.org/10.1063/5.0005188 *
* *
**************** 64 BIT LINUX VERSION *****************
GAMESS HAS BEEN MADE POSSIBLE WITH IMPORTANT CONTRIBUTIONS FROM
THE FOLLOWING INDIVIDUALS (IN ALPHABETICAL ORDER):
IVANA ADAMOVIC, CHRISTINE AIKENS, TOMOKO AKAMA,
MELISA ALKAN, YURI ALEXEEV, YURIKO AOKI, POOJA ARORA,
TOSHIO ASADA, ANDREY ASADCHEV, KIM K. BALDRIDGE,
PRADIPTA BANDYOPADHYAY, TAYLOR A. BARNES, MARIA BARYSZ,
ROB BELL, JONATHAN BENTZ, COLLEEN BERTONI,
JERRY A. BOATZ, BRETT BODE, KURT BRORSEN, KURT R. BRORSEN,
LAIMUTIS BYTAUTAS, CALEB CARLIN, LAURA CARRINGTON,
GALINA CHABAN, BENOIT CHAMPAGNE, WEI CHEN, MAHITO CHIBA,
DAN CHIPMAN, CHEOL HO CHOI, TANNER CULPITT,
DIPAYAN DATTA, PAUL DAY, ALBERT DEFUSCO,
NUWAN DESILVA, J. EMILIANO DEUSTUA,
TIM DUDLEY, MICHEL DUPUIS, STEVEN T. ELBERT,
DMITRI FEDOROV, KATHERINE FERRERAS, MICHAEL FILATOV,
ALEX FINDLATER,GRAHAM FLETCHER, MARK FREITAG,
CHRISTIAN FRIEDL, DAVID GARMER,
IGOR S. GERASIMOV, KURT GLAESEMANN,
MARK S. GORDON, JEFFREY R. GOUR, FENG LONG GU,
EMILIE B. GUIDEZ, ANASTASIA GUNINA, SHARON HAMMES-SCHIFFER,
MASATAKE HARUTA, KIMIHIKO HIRAO, YASUHIRO IKABATA,
TZVETELIN IORDANOV, STEPHAN IRLE, KAZUYA ISHIMURA,
JOE IVANIC, FRANK JENSEN, JAN H. JENSEN, VISVALDAS KAIRYS,
MUNEAKI KAMIYA, MICHIO KATOUDA, NAOAKI KAWAKAMI, DAN KEMP,
BERNARD KIRTMAN, KAZUO KITAURA, MARIUSZ KLOBUKOWSKI,
MASATO KOBAYASHI, KONSTANTIN KOMAROV, PRAKASHAN KORAMBATH,
JACEK KORCHOWIEC, SHIRO KOSEKI, KAROL KOWALSKI,
JIMMY KROMANN, STANISLAW A. KUCHARSKI, HENRY KURTZ,
SAROM SOK LEANG, SEUNGHOON LEE, HUI LI, SHUHUA LI, WEI LI,
JESSE J. LUTZ, ALEKSANDR O. LYKHIN,
ILIAS MAGOULAS, MARCIN MAKOWSKI,
JOANI MATO, NIKITA MATSUNAGA, BENEDETTA MENNUCCI,
GRANT MERRILL, NORIYUKI MINEZAWA, VLADIMIR MIRONOV,
EISAKU MIYOSHI, JOHN A. MONTGOMERY JR., HIROTOSHI MORI,
JONATHAN MULLIN, MONIKA MUSIAL, SHIGERU NAGASE,
TAKESHI NAGATA, HIROMI NAKAI, TAKAHITO NAKAJIMA,
YUYA NAKAJIMA, HARUYUKI NAKANO, HIROYA NAKATA, SEAN NEDD,
HEATHER NETZLOFF, KIET A. NGUYEN, YOSHIO NISHIMOTO,
BOSILJKA NJEGIC, RYAN OLSON, MIKE PAK, ROBERTO PEVERATI,
BUU PHAM, PIOTR PIECUCH, ANNA POMOGAEVA, DAVID POOLE,
SPENCER PRUITT, OLIVIER QUINET, LUKE ROSKOP,
KLAUS RUEDENBERG, ANDREW SAND, TOSAPORN SATTASATHUCHANA,
NOZOMI SAWADA, MICHAEL W. SCHMIDT, PATRICK E. SCHNEIDER,
JUNJI SEINO, PRACHI SHARMA, JUN SHEN, JIM SHOEMAKER,
YINAN SHU, DEJUN SI, JONATHAN SKONE, LYUDMILA SLIPCHENKO,
TONY SMITH, JIE SONG, MARK SPACKMAN, CASPER STEINMANN,
WALT STEVENS, PEIFENG SU, SHUJUN SU, CHET SWALINA,
CHINAMI TAKASHIMA, TETSUYA TAKETSUGU, ZHEN TAO,
NANDUN THELLAMUREGE, SEIKEN TOKURA, JACOPO TOMASI,
TSUGUKI TOUMA, TAKAO TSUNEDA, HIROAKI UMEDA,
JORGE LUIS GALVEZ VALLEJO, YALI WANG, SIMON WEBB,
AARON WEST, THERESA L. WINDUS, MARTA WLOCH,
PENG XU, KIYOSHI YAGI, SUSUMU YANAGISAWA, YANG YANG,
SOOHAENG YOO, TAKESHI YOSHIKAWA, FEDERICO ZAHARIEV,
TOBY ZENG
WHO ARE SUPPORTED BY THEIR INSTITUTION/UNIVERSITY/COMPANY/GROUP
(IN ALPHABETICAL ORDER):
EP ANALYTICS,
FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX,
INSTITUTE FOR MOLECULAR SCIENCE, IOWA STATE UNIVERSITY,
JACKSON STATE UNIVERSITY, JOHANNES KEPLER UNIVERSITY LINZ,
KYUNGPOOK NATIONAL UNIVERSITY
KYUSHU UNIVERSITY, MICHIGAN STATE UNIVERSITY,
MIE UNIVERSITY, THE MOLECULAR SCIENCES SOFTWARE INSTITUTE,
MOSCOW STATE UNIVERSITY,
N. COPERNICUS UNIVERSITY, NAGOYA UNIVERSITY,
NANJING UNIVERSITY, NAT. INST. OF ADVANCED INDUSTRIAL
SCIENCE AND TECHNOLOGY, NATIONAL INST. OF STANDARDS AND
TECHNOLOGY, NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS
OF RUSSIAN ACADEMY OF SCIENCES, OSAKA PREFECTURE UNIVERSITY,
PENNSYLVANIA STATE UNIVERSITY, TOKYO INSTITUTE OF TECHNOLOGY,
UNIVERSITY OF AARHUS, UNIVERSITY OF ALBERTA,
UNIVERSITY OF CALIFORNIA AT SANTA BARBARA,
UNIVERSITY OF COPENHAGEN, UNIVERSITY OF IOWA,
UNIVERSITY OF MEMPHIS, UNIVERSITY OF MINNESOTA,
UNIVERSITY OF NEBRASKA, UNIVERSITY OF NEW ENGLAND,
UNIVERSITY OF NOTRE DAME, UNIVERSITY OF PISA,
UNIVERSITY OF SILESIA, UNIVERSITY OF TOKYO,
UNIVERSITY OF ZURICH, WASEDA UNIVERSITY,
YALE UNIVERSITY
GAMESS SOFTWARE MANAGEMENT TEAM FOR THIS RELEASE:
MARK S. GORDON (TEAM LEAD),
BRETT BODE (SENIOR ADVISOR),
GIUSEPPE BARCA,
COLLEEN BERTONI,
KRISTOPHER KEIPERT (ADVISOR),
SAROM S. LEANG (DEVELOPMENT LEAD),
BUU PHAM,
JACKSON HAYES (WEBSITE ADMINISTRATOR),
PENG XU
PARALLEL VERSION RUNNING ON 1024 PROCESSORS IN 128 NODES.
EXECUTION OF GAMESS BEGUN 16:41:16 05-AUG-2023
ECHO OF THE FIRST FEW INPUT CARDS -
INPUT CARD> $MP2 code=omprimp2 $END
INPUT CARD> $AUXBAS cabnam=ccd $END
INPUT CARD>!$offload rhf=.t. makefp=.t. $end
INPUT CARD>! Change NGROUP to reflect number of nodes you are running on
INPUT CARD> $GDDI BALTYP=DLB NGROUP=128 $END
INPUT CARD>! Change 1st and 2nd entry of NGRFMO(1) to reflect number of nodes you
INPUT CARD>! are running on
INPUT CARD> $SCF DIRSCF=.TRUE. DAMP=.TRUE. SHIFT=.TRUE. NPUNCH=0 $END
INPUT CARD> $SYSTEM MWORDS=3000 MEMDDI=300000 $END
INPUT CARD> $LOCAL CVGLOC=1.0E-6 FCORE=.TRUE. $END
INPUT CARD>! Threaded integrals
INPUT CARD> $INTGRL INTOMP=1 $END
INPUT CARD> $CONTRL SCFTYP=RHF RUNTYP=ENERGY NPRINT=-5
INPUT CARD> MPLEVL=2 ISPHER=1
INPUT CARD> LOCAL=RUEDNBRG MAXIT=50 $END
INPUT CARD> $FMO
INPUT CARD> NBODY=2
INPUT CARD> IEFMO=1
INPUT CARD> RESDIM=2
INPUT CARD>! UNCOMMENT THE LINE BELOW FOR POST-HF RUNS
INPUT CARD> RCORSD=2
INPUT CARD> MODEFM(1)=0, 16, 1, 1, 1
INPUT CARD> RAFO(1)=.1, 1, 1
INPUT CARD> MAXCAO=9
INPUT CARD> MAXBND=30
INPUT CARD> NLAYER=1
INPUT CARD> NFRAG=158
INPUT CARD> ICHARG(1)=
INPUT CARD> 0, 0, 0, 0, 0
INPUT CARD> FRGNAM(1)=
INPUT CARD> Msn1Fn1, Msn2, Msn3, Msn4,
INPUT CARD> Msn5
INPUT CARD> INDAT(1)=0
INPUT CARD> 1 -66, 305 -311 0
INPUT CARD> 67 -117 0
INPUT CARD> 118 -180 0
INPUT CARD> 181 -240 0
INPUT CARD> 241 -297, 298 -304, 312 -318 0
INPUT CARD>!insert
INPUT CARD> 319 -408 0
INPUT CARD> 409 -498 0
INPUT CARD> 499 -588 0
INPUT CARD> 589 -678 0
INPUT CARD> 679 -768 0
INPUT CARD> 769 -858 0
INPUT CARD> 859 -948 0
INPUT CARD> 949 -1038 0
INPUT CARD> 1039 -1128 0
INPUT CARD> 1129 -1218 0
INPUT CARD> 1219 -1308 0
-------------------------------------------------------------
GROUP DDI, PROGRAMMED BY: RYAN M. OLSON AND DMITRI G. FEDOROV
FEDOROV ET AL., J. COMPUT. CHEM., 25 (2004) 872.
-------------------------------------------------------------
---------------------------------------------------------
GDDI: INITIALIZATION COMPLETED FOR GROUP 1 OF 128
WITH 8 PROCESSES BALTYP=DLB GLOBAL RANK= 0
---------------------------------------------------------
3000000000 WORDS OF MEMORY AVAILABLE
RUN TITLE
---------
EFMO 6 fragment MSN single pore model
THE POINT GROUP OF THE MOLECULE IS C1
THE ORDER OF THE PRINCIPAL AXIS IS 0
ATOM ATOMIC CHARGE
O.1-1 8.0
C.1-1 6.0
SI.1-1 14.0
N.1-1 7.0
H.1-1 1.0
ATOMIC BASIS SET LIBRARY
----------------
THE CONTRACTED PRIMITIVE FUNCTIONS HAVE BEEN UNNORMALIZED
THE CONTRACTED BASIS FUNCTIONS ARE NOW NORMALIZED TO UNITY
SHELL TYPE PRIMITIVE EXPONENT CONTRACTION COEFFICIENT(S)
O.1-1
1 S 1 5484.6716600 0.001831074430
1 S 2 825.2349460 0.013950172200
1 S 3 188.0469580 0.068445078098
1 S 4 52.9645000 0.232714335992
1 S 5 16.8975704 0.470192897984
1 S 6 5.7996353 0.358520852987
2 L 7 15.5396162 -0.110777549525 0.070874268231
2 L 8 3.5999336 -0.148026262701 0.339752839147
2 L 9 1.0137618 1.130767015354 0.727158577316
3 L 10 0.2700058 1.000000000000 1.000000000000
C.1-1
4 S 11 3047.5248800 0.001834737132
4 S 12 457.3695180 0.014037322813
4 S 13 103.9486850 0.068842622264
4 S 14 29.2101553 0.232184443216
4 S 15 9.2866630 0.467941348435
4 S 16 3.1639270 0.362311985337
5 L 17 7.8682723 -0.119332419775 0.068999066591
5 L 18 1.8812885 -0.160854151696 0.316423960957
5 L 19 0.5442493 1.143456437840 0.744308290898
6 L 20 0.1687145 1.000000000000 1.000000000000
SI.1-1
7 S 21 16192.1000000 0.001949239405
7 S 22 2436.0900000 0.014855895466
7 S 23 556.0010000 0.072568877851
7 S 24 156.8130000 0.245654925022
7 S 25 50.1692000 0.486059851646
7 S 26 17.0300000 0.325719900585
8 L 27 293.3500000 -0.002829912441 0.004433341604
8 L 28 70.1173000 -0.036073731114 0.032440211739
8 L 29 22.4301000 -0.116808100749 0.133719048387
8 L 30 8.1942500 0.093576880711 0.326780118247
8 L 31 3.1476800 0.601705518979 0.451139163247
8 L 32 1.2151500 0.422072364043 0.264105095568
9 L 33 1.6537000 -0.240599186106 -0.015177406538
9 L 34 0.5407600 0.073795050368 0.275139118516
9 L 35 0.2044060 1.040936478740 0.783008337279
10 L 36 0.0723837 1.000000000000 1.000000000000
N.1-1
11 S 37 4173.5114600 0.001834772160
11 S 38 627.4579110 0.013994627002
11 S 39 142.9020930 0.068586551812
11 S 40 40.2343293 0.232240873040
11 S 41 12.8202129 0.469069948082
11 S 42 4.3904370 0.360455199063
12 L 43 11.6263619 -0.114961181702 0.067579743878
12 L 44 2.7162798 -0.169117478561 0.323907295893
12 L 45 0.7722184 1.145851947027 0.740895139755
13 L 46 0.2120315 1.000000000000 1.000000000000
H.1-1
14 S 47 18.7311370 0.033494604338
14 S 48 2.8253944 0.234726953484
14 S 49 0.6401217 0.813757326146
15 S 50 0.1612778 1.000000000000
TOTAL NUMBER OF BASIS SET SHELLS = 15
NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS = 42
SELECTED MURRAY-HANDY-LAMING RADIAL GRID
LEGACY BECKE'S FUZZY CELL METHOD
SELECTED ORIGINAL BECKE'S PARTITION FUNCTION
$CONTRL OPTIONS
---------------
SCFTYP=RHF RUNTYP=ENERGY EXETYP=RUN
MPLEVL= 2 CITYP =NONE CCTYP =NONE VBTYP =NONE
DFTTYP=NONE TDDFT =NONE
MULT = 1 ICHARG= 0 NZVAR = 0 COORD =UNIQUE
PP =NONE RELWFN=NONE LOCAL =RUEDNBRG NUMGRD= F
ISPHER= 1 NOSYM = 0 MAXIT = 50 UNITS =ANGS
PLTORB= F MOLPLT= F AIMPAC= F FRIEND=
NPRINT= -5 IREST = 0 GEOM =INPUT
NORMF = 0 NORMP = 0 ITOL = 24 ICUT = 12
INTTYP=BEST GRDTYP=BEST QMTTOL= 1.0E-06
$SYSTEM OPTIONS
---------------
REPLICATED MEMORY= 3000000000 WORDS (ON EVERY NODE).
DISTRIBUTED MEMDDI= 300000 MILLION WORDS IN AGGREGATE,
MEMDDI DISTRIBUTED OVER 8 PROCESSORS IS 292968750 WORDS/PROCESSOR.
TOTAL MEMORY REQUESTED ON EACH PROCESSOR= 3292968750 WORDS.
TIMLIM= 525600.00 MINUTES, OR 365.0 DAYS.
PARALL= T BALTYP= DLB KDIAG= 0 COREFL= F
MXSEQ2= 300 MXSEQ3= 150 mem10= 0 mem22= 0
High-tech $SYSTEM options in MODIO: 1
( 1) file flushing: no
( 2) recycle dictionary: no
( 4) skip timing summary: no
( 8) save DFT grid file: yes
( 16) reduce output: no
( 32) slaves open F15: yes
( 64) in-memory F15: no
( 128) parallelize EVVRSP: yes
( 256) reduce timing output: no
( 512) use XYZ file: no
( 1024) supershort output: no
( 2048) superfast calculation:no
----------------
PROPERTIES INPUT
----------------
MOMENTS FIELD POTENTIAL DENSITY
IEMOM = 1 IEFLD = 0 IEPOT = 0 IEDEN = 0
WHERE =COMASS WHERE =NUCLEI WHERE =NUCLEI WHERE =NUCLEI
OUTPUT=BOTH OUTPUT=BOTH OUTPUT=NONE OUTPUT=BOTH
IEMINT= 0 IEFINT= 0 IEDINT= 0
MORB = 0
EXTRAPOLATION IN EFFECT
DAMPING IN EFFECT
LEVEL SHIFTING IN EFFECT
SOSCF IN EFFECT
ORBITAL PRINTING OPTION: NPREO= 1 32767 2 1
----------------------
TARGET OFFLOAD OPTIONS
----------------------
RHF = F
CPHF = F
MAKEFP = F
-------------------------------
INTEGRAL TRANSFORMATION OPTIONS
-------------------------------
NWORD = 0
CUTTRF = 1.0E-10 MPTRAN = 0
DIRTRF = T AOINTS =DUP
-----------------------------
LOCALIZATION INPUT PARAMETERS
-----------------------------
LOCAL=RUEDNBRG NOUTA= 8
PRTLOC= F NOUTB= 0
MAXLOC= 1000 CVGLOC=1.00E-06
FCORE= T SYMLOC= F
MOIDON= F EDCOMP= F
DIPDCM= F NPROT= 0
QADDCM= F DEPRNT= F
POLNUM= F ORIENT= F
POLDYN= F VMTOL=1.50E-01
NPRDTL= 2 IBOYAL= 1
EXTLOC=NONE IVVTYP= 0
PADSVD= F
MOOUTA = 1 2 3 4 5 6 7 8
--------------
OPENMP OPTIONS
--------------
INTOMP = 1
SHFOCK = F
THREADED 2-ELECTRON INTEGRAL CODE WILL BE USED
NUMBER OF OPENMP THREADS: 6
2E INTS ALGORITHM: MPI(I) + OPENMP(JK)
PRIVATE FOCK MATRIX CODE WILL BE USED
----------------------
INTEGRAL INPUT OPTIONS
----------------------
NOPK = 1 NORDER= 0 SCHWRZ= T
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 8 NBCORE = 8
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 8
NUMBER OF CORE -B- ORBITALS = 8
NUMBER OF OCC. -A- ORBITALS = 18
NUMBER OF OCC. -B- ORBITALS = 18
NUMBER OF MOLECULAR ORBITALS = 42
NUMBER OF BASIS FUNCTIONS = 42
..... DONE SETTING UP THE RUN .....
CPU 0: STEP CPU TIME= 0.54 TOTAL CPU TIME= 0.5 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.1 SECONDS, CPU UTILIZATION IS 48.78%
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 0.6 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.3 SECONDS, CPU UTILIZATION IS 45.08%
----------------------
AO INTEGRAL TECHNOLOGY
----------------------
S,P,L SHELL ROTATED AXIS INTEGRALS, REPROGRAMMED BY
KAZUYA ISHIMURA (IMS) AND JOSE SIERRA (SYNSTAR).
S,P,D,L SHELL ROTATED AXIS INTEGRALS PROGRAMMED BY
KAZUYA ISHIMURA (INSTITUTE FOR MOLECULAR SCIENCE).
S,P,D,F,G SHELL TO TOTAL QUARTET ANGULAR MOMENTUM SUM 5,
ERIC PROGRAM BY GRAHAM FLETCHER (ELORET AND NASA ADVANCED
SUPERCOMPUTING DIVISION, AMES RESEARCH CENTER).
S,P,D,F,G,L SHELL GENERAL RYS QUADRATURE PROGRAMMED BY
MICHEL DUPUIS (PACIFIC NORTHWEST NATIONAL LABORATORY).
FMO/AFO does not work with correlated wave functions.
CPU 0: STEP CPU TIME= 0.27 TOTAL CPU TIME= 0.8 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.6 SECONDS, CPU UTILIZATION IS 51.99%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.8 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.6 SECONDS, CPU UTILIZATION IS 51.99%
Initialising fragments
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.7 SECONDS, CPU UTILIZATION IS 52.11%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.7 SECONDS, CPU UTILIZATION IS 52.11%
-----------------------------------------------------------------------
The Fragment Molecular Orbital (FMO) method.
Version 5.5
Contributors: N. Asada, K. R. Brorsen, M. Chiba, C. Choi, D. G. Fedorov,
D. S. Kaliakin, N. Minezawa, V. Mironov, T. Nagata, H. Nakata, Y. Nishimoto,
S. R. Pruitt, C. Steinmann, and F. Zahariev.
All publications using the FMO method in GAMESS should cite:
D. G. Fedorov, K. Kitaura, J. Chem. Phys. 120, 6832 (2004).
-----------------------------------------------------------------------
Used memory (words): 12712617
Number of fragments: 158
Number of layers: 1
N-body FMO method: 2
Number of atoms: 14109
Total charge: 0
Total spin multiplicity: 1
Number of basis sets: 1
Number of LMO types: 0
Number of boundaries: 28
MonomerSCF convergence: 0.1000E-06
Max monomerSCF iter: 30
MonomerSCF criterion: internal
Max AOs per n-mer: 667 1270
Projection operator constant: 0.10E+07
Layer electron correlation information
nbody= 2
SCFTYP=RHF
MPLEVL= 2
DFTTYP=NONE
CITYP=NONE
CCTYP=NONE
TDDFT=NONE
FMO method: EFMO2-RMP2
Bond fragmentation scheme: AFO0
One AFO per bond frozen.
Weak localisation.
Using partial Mulliken localization criterion.
FMO approximations.
Using point charge approximation for the 2e ESP with the VdW factor 2.00
Using ES-dimer approximation with the VdW factor 2.00
No dynamic correlation for dimers with the VdW factor 2.00
No gradient contribution from separated dimers.
The uniform distances will be used in ESPs.
Van der Waals radii in Angstrom are:
R(O )= 1.4000
R(SI )= 1.1700
R(H )= 1.2000
FMO initial guess options.
Using monomer density to form n-mer guess.
Use 1-mer Aufbau for initial n-mer orbitals.
FMO extensions.
Point charge screening parameters: 0.1000 0.1000
FMO automation options.
FMO SCF converger options.
SCF convergers:
839 839 839 839 839 839 839 839 839 839
Fragment densities will be exchanged.
FMO parallelisation options.
Smart parallel load balancing: large jobs first.
ESPs will be shell parallelised.
Broadcast all fragments at once.
Do the fragment initialisation in the reverse order.
FMO properties and print-out level.
Interfragment CT method: 4
Compact print-out level.
Array dimensions maxbnd,maxknd,maxcbs,maxcao,maxbbd,maxnat are:
30 10 13 9 13 111
--------------------------------------------------
----------------------------------------------------------------------
THIS IS AN EFFECTIVE FRAGMENT MOLECULAR ORBITAL (EFMO) RUN.
USING EFP MODELS FOR MANY-BODY INTERACTIONS.
ALL PUBLICATIONS USING EFMO SHOULD REFERENCE:
C. STEINMANN, D.G. FEDOROV, J.H. JENSEN, J. CHEM. PHYS. A 114, 8705 (2010)
EFMO STORAGE REQUIRES1056153689 WORDS.
EFP Electrostatic Options
No screening of electrostaic moments
Tang-Toennis style screening 0.1000 0.1000
Ignore torque contribution on gradient
Multipole expansion on atoms only
EFP Polarization Options
Use CPHF alpha-polarizability tensors
EFP Dispersion Options
Dispersion interaction for separated pairs
Distribute gradient by percentage between close atoms
Ignore torque contribution on gradient
EFP Charge Transfer Options
Charge Transfer interaction for separated pairs
EFP Exchange Repulsion Options
Exchange Repulsion interaction for separated pairs
----------------------------------------------------------------------
Starting layer 1 nbody=2
SCFTYP=RHF MPLEVL=2 DFTTYP=NONE CITYP=NONE CCTYP=NONE TDDFT=NONE
Running initial guess for monomer 158
-------------
GUESS OPTIONS
-------------
GUESS =HUCKEL NORB = 0 NORDER= 0
MIX = F PRTMO = F PUNMO = F
TOLZ = 1.0E-08 TOLE = 1.0E-05
SYMDEN= F PURIFY= F
INITIAL GUESS ORBITALS GENERATED BY HUCKEL ROUTINE.
HUCKEL GUESS REQUIRES 2025753 WORDS.
SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW. BOTH SET(S).
185 ORBITALS ARE OCCUPIED ( 37 CORE ORBITALS).
38=A 39=A 40=A 41=A 42=A 43=A 44=A
45=A 46=A 47=A 48=A 49=A 50=A 51=A
52=A 53=A 54=A 55=A 56=A 57=A 58=A
59=A 60=A 61=A 62=A 63=A 64=A 65=A
66=A 67=A 68=A 69=A 70=A 71=A 72=A
73=A 74=A 75=A 76=A 77=A 78=A 79=A
80=A 81=A 82=A 83=A 84=A 85=A 86=A
87=A 88=A 89=A 90=A 91=A 92=A 93=A
94=A 95=A 96=A 97=A 98=A 99=A 100=A
101=A 102=A 103=A 104=A 105=A 106=A 107=A
108=A 109=A 110=A 111=A 112=A 113=A 114=A
115=A 116=A 117=A 118=A 119=A 120=A 121=A
122=A 123=A 124=A 125=A 126=A 127=A 128=A
129=A 130=A 131=A 132=A 133=A 134=A 135=A
136=A 137=A 138=A 139=A 140=A 141=A 142=A
143=A 144=A 145=A 146=A 147=A 148=A 149=A
150=A 151=A 152=A 153=A 154=A 155=A 156=A
157=A 158=A 159=A 160=A 161=A 162=A 163=A
164=A 165=A 166=A 167=A 168=A 169=A 170=A
171=A 172=A 173=A 174=A 175=A 176=A 177=A
178=A 179=A 180=A 181=A 182=A 183=A 184=A
185=A 186=A 187=A 188=A 189=A 190=A 191=A
192=A 193=A 194=A 195=A
...... END OF INITIAL ORBITAL SELECTION ......
CPU 0: STEP CPU TIME= 2.03 TOTAL CPU TIME= 2.9 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 5.4 SECONDS, CPU UTILIZATION IS 53.81%
There are 390 separated and 12013 SCF ( 12013 correlated) dimers.
Estimate of max dimer size: 1270 AOs, 540 occ. MOs
Fragment statistics
I NAME Q NAT0 NGA NA NAO NMO L MUL SCFTYP NOP MOL CONV
===============================================================================
1 MSN1FN1 0 73 0 250 552 552 1 1 G RHF 0 -1 -1
2 MSN2 0 51 10 205 563 563 1 1 G RHF 0 -1 -1
3 MSN3 0 63 4 235 563 563 1 1 G RHF 0 -1 -1
4 MSN4 0 60 7 240 603 603 1 1 G RHF 0 -1 -1
5 MSN5 0 71 7 270 667 667 1 1 G RHF 0 -1 -1
6 frg00006 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
7 frg00007 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
8 frg00008 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
9 frg00009 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
10 frg00010 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
11 frg00011 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
12 frg00012 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
13 frg00013 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
14 frg00014 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
15 frg00015 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
16 frg00016 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
17 frg00017 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
18 frg00018 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
19 frg00019 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
20 frg00020 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
21 frg00021 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
22 frg00022 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
23 frg00023 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
24 frg00024 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
25 frg00025 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
26 frg00026 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
27 frg00027 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
28 frg00028 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
29 frg00029 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
30 frg00030 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
31 frg00031 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
32 frg00032 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
33 frg00033 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
34 frg00034 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
35 frg00035 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
36 frg00036 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
37 frg00037 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
38 frg00038 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
39 frg00039 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
40 frg00040 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
41 frg00041 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
42 frg00042 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
43 frg00043 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
44 frg00044 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
45 frg00045 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
46 frg00046 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
47 frg00047 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
48 frg00048 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
49 frg00049 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
50 frg00050 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
51 frg00051 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
52 frg00052 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
53 frg00053 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
54 frg00054 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
55 frg00055 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
56 frg00056 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
57 frg00057 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
58 frg00058 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
59 frg00059 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
60 frg00060 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
61 frg00061 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
62 frg00062 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
63 frg00063 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
64 frg00064 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
65 frg00065 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
66 frg00066 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
67 frg00067 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
68 frg00068 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
69 frg00069 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
70 frg00070 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
71 frg00071 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
72 frg00072 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
73 frg00073 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
74 frg00074 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
75 frg00075 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
76 frg00076 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
77 frg00077 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
78 frg00078 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
79 frg00079 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
80 frg00080 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
81 frg00081 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
82 frg00082 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
83 frg00083 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
84 frg00084 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
85 frg00085 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
86 frg00086 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
87 frg00087 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
88 frg00088 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
89 frg00089 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
90 frg00090 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
91 frg00091 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
92 frg00092 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
93 frg00093 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
94 frg00094 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
95 frg00095 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
96 frg00096 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
97 frg00097 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
98 frg00098 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
99 frg00099 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
100 frg00100 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
101 frg00101 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
102 frg00102 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
103 frg00103 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
104 frg00104 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
105 frg00105 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
106 frg00106 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
107 frg00107 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
108 frg00108 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
109 frg00109 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
110 frg00110 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
111 frg00111 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
112 frg00112 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
113 frg00113 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
114 frg00114 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
115 frg00115 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
116 frg00116 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
117 frg00117 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
118 frg00118 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
119 frg00119 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
120 frg00120 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
121 frg00121 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
122 frg00122 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
123 frg00123 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
124 frg00124 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
125 frg00125 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
126 frg00126 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
127 frg00127 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
128 frg00128 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
129 frg00129 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
130 frg00130 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
131 frg00131 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
132 frg00132 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
133 frg00133 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
134 frg00134 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
135 frg00135 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
136 frg00136 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
137 frg00137 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
138 frg00138 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
139 frg00139 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
140 frg00140 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
141 frg00141 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
142 frg00142 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
143 frg00143 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
144 frg00144 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
145 frg00145 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
146 frg00146 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
147 frg00147 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
148 frg00148 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
149 frg00149 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
150 frg00150 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
151 frg00151 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
152 frg00152 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
153 frg00153 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
154 frg00154 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
155 frg00155 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
156 frg00156 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
157 frg00157 0 90 0 150 390 390 1 1 G RHF 0 -1 -1
158 frg00158 0 111 0 185 481 481 1 1 G RHF 0 -1 -1
Close fragment pairs, distance relative to vdW radii
Warning: frgs 2 1 are cross-linked( 1): bond 1 atoms 43 80
Warning: frgs 2 1 are cross-linked( 2): bond 2 atoms 44 81
Warning: frgs 2 1 are cross-linked( 3): bond 3 atoms 45 86
Warning: frgs 2 1 are cross-linked( 4): bond 4 atoms 46 87
Warning: frgs 2 1 are cross-linked( 5): bond 5 atoms 47 92
Warning: frgs 2 1 are cross-linked( 6): bond 6 atoms 48 93
Warning: frgs 2 1 are cross-linked( 7): bond 7 atoms 49 98
Warning: frgs 3 2 are cross-linked( 1): bond 8 atoms 75 120
Warning: frgs 3 2 are cross-linked( 2): bond 9 atoms 76 126
Warning: frgs 3 2 are cross-linked( 3): bond 10 atoms 77 134
Warning: frgs 3 2 are cross-linked( 4): bond 11 atoms 78 142
Warning: frgs 3 2 are cross-linked( 5): bond 12 atoms 151 84
Warning: frgs 3 2 are cross-linked( 6): bond 13 atoms 154 90
Warning: frgs 3 2 are cross-linked( 7): bond 14 atoms 158 96
Warning: frgs 4 3 are cross-linked( 1): bond 15 atoms 153 184
Warning: frgs 4 3 are cross-linked( 2): bond 16 atoms 156 193
Warning: frgs 4 3 are cross-linked( 3): bond 17 atoms 157 186
Warning: frgs 4 3 are cross-linked( 4): bond 18 atoms 160 202
Warning: frgs 4 3 are cross-linked( 5): bond 19 atoms 161 195
Warning: frgs 4 3 are cross-linked( 6): bond 20 atoms 163 204
Warning: frgs 4 3 are cross-linked( 7): bond 21 atoms 164 212
Warning: frgs 5 4 are cross-linked( 1): bond 22 atoms 214 242
Warning: frgs 5 4 are cross-linked( 2): bond 23 atoms 217 248
Warning: frgs 5 4 are cross-linked( 3): bond 24 atoms 218 250
Warning: frgs 5 4 are cross-linked( 4): bond 25 atoms 221 257
Warning: frgs 5 4 are cross-linked( 5): bond 26 atoms 222 259
Warning: frgs 5 4 are cross-linked( 6): bond 27 atoms 225 266
Warning: frgs 5 4 are cross-linked( 7): bond 28 atoms 226 268
CPU 0: STEP CPU TIME= 0.20 TOTAL CPU TIME= 3.1 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 6.3 SECONDS, CPU UTILIZATION IS 49.89%
dmexch needs 1798366 words of memory.
CPU 0: STEP CPU TIME= 0.76 TOTAL CPU TIME= 3.9 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.2 SECONDS, CPU UTILIZATION IS 42.17%
Data exchange of 12594342 words took 3.0 s.
call makelmo
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3.9 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.2 SECONDS, CPU UTILIZATION IS 42.17%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3.9 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.2 SECONDS, CPU UTILIZATION IS 42.17%
Changing the thresholds:
CONV= 0.1E-06 0.1E-05 CUTTRF= 0.1E-09 0.1E-08 ITOL= 24 20 ICUT= 12 10
Acceleration options T, 2*F
Bond 1 : 4 caps added, 6 atoms total. Charge 0 , multiplicity 0 .
43 14.00000 -9.63613500 -13.18386700 9.94388800
80 8.00000 -10.06642200 -12.40345300 8.57887100
5 1.00000 -8.16516659 -13.34415699 9.97485653
30 1.00000 -10.26164705 -14.52436342 9.99083502
32 1.00000 -10.10210871 -12.40566141 11.11335991
101 1.00000 -10.78709783 -12.17948719 7.98551979
-------------
GUESS OPTIONS
-------------
GUESS =HUCKEL NORB = 0 NORDER= 0
MIX = F PRTMO = F PUNMO = F
TOLZ = 1.0E-08 TOLE = 1.0E-05
SYMDEN= F PURIFY= F
INITIAL GUESS ORBITALS GENERATED BY HUCKEL ROUTINE.
HUCKEL GUESS REQUIRES 12246 WORDS.
SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW. BOTH SET(S).
13 ORBITALS ARE OCCUPIED ( 6 CORE ORBITALS).
7=A 8=A 9=A 10=A 11=A 12=A 13=A
14=A 15=A 16=A 17=A 18=A 19=A 20=A
21=A 22=A 23=A
...... END OF INITIAL ORBITAL SELECTION ......
CPU 0: STEP CPU TIME= 0.03 TOTAL CPU TIME= 3.9 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.2 SECONDS, CPU UTILIZATION IS 42.31%
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -365.7061429612 -365.7061429612 0.290822432 0.000000000 0.000000000 1.000000000 103394 192
---------------START SECOND ORDER SCF---------------
2 1 0 -366.0183199777 -0.3121770165 0.068600770 0.043238949 0.000000000 0.000000000 103347 233
3 2 0 -366.0349930027 -0.0166730250 0.038205626 0.018411536 0.000000000 0.000000000 103205 289
4 3 0 -366.0368741635 -0.0018811608 0.007525235 0.006993625 0.000000000 0.000000000 103115 316
5 4 0 -366.0371263164 -0.0002521529 0.001308364 0.000834276 0.000000000 0.000000000 102751 445
6 5 0 -366.0371366034 -0.0000102871 0.000625937 0.000240636 0.000000000 0.000000000 102124 584
7 6 0 -366.0371379351 -0.0000013317 0.000103118 0.000045517 0.000000000 0.000000000 101549 731
8 7 0 -366.0371379720 -0.0000000369 0.000071840 0.000017163 0.000000000 0.000000000 100129 982
9 8 0 -366.0371379799 -0.0000000079 0.000007128 0.000002984 0.000000000 0.000000000 99766 1039
10 9 0 -366.0371379799 0.0000000000 0.000003581 0.000000702 0.000000000 0.000000000 96771 1462
11 10 0 -366.0371379798 0.0000000001 0.000000438 0.000000135 0.000000000 0.000000000 94647 1681
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 0.0 SECONDS ( 0.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 0.0, LAST ITERATION= 0.0
TIME TO SOLVE SCF EQUATIONS= 0.0 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -366.0371379798 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 0.06 TOTAL CPU TIME= 4.0 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.3 SECONDS, CPU UTILIZATION IS 42.83%
-----------------------------
LOCALIZATION INPUT PARAMETERS
-----------------------------
LOCAL=RUEDNBRG NOUTA= 6
PRTLOC= F NOUTB= 0
MAXLOC= 1000 CVGLOC=1.00E-06
FCORE= T SYMLOC= F
MOIDON= F EDCOMP= F
DIPDCM= F NPROT= 0
QADDCM= F DEPRNT= F
POLNUM= F ORIENT= F
POLDYN= F VMTOL=1.50E-01
NPRDTL= 2 IBOYAL= 1
EXTLOC=NONE IVVTYP= 0
PADSVD= F
MOOUTA = 1 2 3 4 5 6
---------------------------------------
EDMISTON-RUEDENBERG ENERGY LOCALIZATION
---------------------------------------
C.EDMISTON AND K.RUEDENBERG, REV.MOD.PHYS. 35, 457-465 (1963)
--------------------------------------------
PARTIAL TWO ELECTRON INTEGRAL TRANSFORMATION
--------------------------------------------
NUMBER OF CORE MOLECULAR ORBITALS = 6
NUMBER OF OCCUPIED MOLECULAR ORBITALS = 13
TOTAL NUMBER OF MOLECULAR ORBITALS = 30
TOTAL NUMBER OF ATOMIC ORBITALS = 30
THRESHOLD FOR KEEPING TRANSFORMED 2E- INTEGRALS = 1.000E-09
------------------------------- ------------------------------
DISTRIBUTED DATA TRANSFORMATION PROGRAM WRITTEN BY G. FLETCHER
------------------------------- ------------------------------
THE DISTRIBUTED MEMORY REQUIRED FOR THIS STEP IS MEMDDI= 1 MWORDS
CREATING DISTRIBUTED STORAGE FOR [OCC OCC|OCC OCC] INTEGRALS
CREATING WORKSPACE OF SIZE VVOO
FOR 8 PROCESSORS, THE REPLICATED MEMORY NEEDED IS 57581 WORDS.
DIRECT 4-INDEX TRANSFORMATION
SCHWARZ INEQUALITY TEST SKIPPED 338 INTEGRAL BLOCKS
... END OF INTEGRAL TRANSFORMATION ...
CPU 0: STEP CPU TIME= 0.03 TOTAL CPU TIME= 4.0 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.3 SECONDS, CPU UTILIZATION IS 42.97%
---------------------------------------
EDMISTON-RUEDENBERG ENERGY LOCALIZATION
---------------------------------------
C.EDMISTON AND K.RUEDENBERG, REV.MOD.PHYS. 35, 457-465 (1963)
THIS LOCALIZATION REQUIRES 3437 WORDS OF MEMORY.
THE ENERGY LOCALIZATION STEP RUNS IN SERIAL, BUT WILL USE WAVEFUNCTION
AND TRANSFORMED INTEGRAL INFORMATION PREVIOUSLY GENERATED IN PARALLEL MODE.
DESTROYING DDI ARRAY [ 0] CONTAINING [OO|OO] INTEGRALS
THIS LOCALIZATION HAS 13 ORBITALS, OF WHICH 6 ARE FROZEN.
INITIAL LOCALIZATION SUMS ARE
DIAGONAL SUM D= 3.1596667721
COULOMB SUM C= 19.5519395975
EXCHANGE SUM X= 5.6684511307
BEGINNING 2X2 JACOBI ROTATIONS...
20 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-01
53 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-02
104 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-03
85 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-04
101 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-05
100 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-06
463 TOTAL PAIR ROTATIONS REQUIRED TO CONVERGE TO 1.00E-06
FINAL LOCALIZATION SUMS ARE
DIAGONAL SUM D= 4.9879226007
COULOMB SUM C= 19.5519395975
EXCHANGE SUM X= 5.6684511307
FOCK OPERATOR FOR THE LOCALIZED ORBITALS IS
... DONE WITH ENERGY LOCALIZATION ...
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 4.0 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.3 SECONDS, CPU UTILIZATION IS 42.97%
Iteration 1: model system for bond 1 has E= -366.0371379798
Bond 1 : LMO 5 has overlap 1.000127
Bond 1 : LMO 6 has overlap 1.000111
Bond 1 : LMO 3 has overlap 1.000050
Bond 1 : LMO 1 has overlap 0.999957
Bond 1 : LMO 4 has overlap 0.999825
Bond 1 : LMO 12 has overlap 0.243070
Bond 1 : LMO 13 has overlap 0.233665
Bond 1 : LMO 9 has overlap 0.228688
Bond 1 : LMO 10 has overlap 0.047543
Bond 1 : the first discarded LMO 7 has overlap 0.012170
Bond 1 : LMO 10 is the detached bond orbital, overlap= 0.800929
Bond 1 : the closest to the detached bond LMO 13 has overlap 0.011856
The thresholds are restored.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 4.0 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.3 SECONDS, CPU UTILIZATION IS 42.99%
Iteration 1: 1 bond AFO construction took 0.1 seconds.
call makelmo done 0.12
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 4.0 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 9.3 SECONDS, CPU UTILIZATION IS 42.99%
RHF monomer 5 corr= MP2 , L1= 667, L0= 667 ID= 1
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 110 NBCORE = 110
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 110
NUMBER OF CORE -B- ORBITALS = 110
NUMBER OF OCC. -A- ORBITALS = 270
NUMBER OF OCC. -B- ORBITALS = 270
NUMBER OF MOLECULAR ORBITALS = 667
NUMBER OF BASIS FUNCTIONS = 667
AO spaces for 5 0 0 n-mer: L1= 667, L0= 667
Preparing AFOs for this system...
There are 7 occupied and 56 virtual frozen LMOs.
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 1877342.9005603543***************** 0.454245709 0.000000000 0.000000000 1.000000000 3151893600 367348377
---------------START SECOND ORDER SCF---------------
2 1 0 -7047.5609635638***************** 0.074034389 0.046625880 0.000000000 0.000000000 3155190180 367330290
3 2 0 -7048.0582797523 -0.4973161885 0.039733655 0.008526441 0.000000000 0.000000000 3087656897 371136761
4 3 0 -7048.1013599694 -0.0430802172 0.015175222 0.003018690 0.000000000 0.000000000 3028000269 372885941
5 4 0 -7048.1074881946 -0.0061282252 0.002194642 0.000714473 0.000000000 0.000000000 2866627835 375785439
6 5 0 -7048.1076913372 -0.0002031426 0.000934287 0.000248963 0.000000000 0.000000000 2617224238 379079027
7 6 0 -7048.1077355346 -0.0000441974 0.000282612 0.000059686 0.000000000 0.000000000 2487639589 380610519
8 7 0 -7048.1077375269 -0.0000019923 0.000087599 0.000032748 0.000000000 0.000000000 2238859367 383246986
9 8 0 -7048.1077378793 -0.0000003524 0.000040199 0.000005537 0.000000000 0.000000000 2033611307 385491574
10 9 0 -7048.1077379067 -0.0000000274 0.000021301 0.000002042 0.000000000 0.000000000 1854402093 387329622
11 10 0 -7048.1077379111 -0.0000000044 0.000004060 0.000000613 0.000000000 0.000000000 1657997055 389196184
12 11 0 -7048.1077379115 -0.0000000004 0.000001131 0.000000263 0.000000000 0.000000000 1460810045 391180620
13 12 0 -7048.1077379086 0.0000000028 0.000000259 0.000000063 0.000000000 0.000000000 1284640098 392958598
14 13 0 -7048.1077379117 -0.0000000031 0.000000147 0.000000025 0.000000000 0.000000000 1082224689 394823732
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 182.3 SECONDS ( 13.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 19.4, LAST ITERATION= 6.3
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -7048.1077379117 AFTER 14 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 183.50 TOTAL CPU TIME= 187.5 ( 3.1 MIN)
TOTAL WALL CLOCK TIME= 41.6 SECONDS, CPU UTILIZATION IS 450.98%
--------------------------------------------------
GENERATING EFMO PARAMETERS FOR FMO MONOMER # 5
--------------------------------------------------
FREEZING EXTRA ORBITALS IN EFMO MONOMER LOCALIZATION.
ORBITAL 605 HAS BEEN FROZEN.
ORBITAL 606 HAS BEEN FROZEN.
ORBITAL 607 HAS BEEN FROZEN.
ORBITAL 608 HAS BEEN FROZEN.
ORBITAL 609 HAS BEEN FROZEN.
ORBITAL 610 HAS BEEN FROZEN.
ORBITAL 611 HAS BEEN FROZEN.
-----------------------------
LOCALIZATION INPUT PARAMETERS
-----------------------------
LOCAL=BOYS NOUTA= 117
PRTLOC= F NOUTB= 0
MAXLOC= 1000 CVGLOC=1.00E-06
FCORE= T SYMLOC= F
MOIDON= F EDCOMP= F
DIPDCM= F NPROT= 0
QADDCM= F DEPRNT= F
POLNUM= F ORIENT= F
POLDYN= T VMTOL=1.50E-01
NPRDTL= 2 IBOYAL= 1
EXTLOC=NONE IVVTYP= 0
PADSVD= F
MOOUTA = 1 2 3 4 5 6 7 8 9 10 11 12
13 14 15 16 17 18 19 20 21 22 23 24
25 26 27 28 29 30 31 32 33 34 35 36
37 38 39 40 41 42 43 44 45 46 47 48
49 50 51 52 53 54 55 56 57 58 59 60
61 62 63 64 65 66 67 68 69 70 71 72
73 74 75 76 77 78 79 80 81 82 83 84
85 86 87 88 89 90 91 92 93 94 95 96
97 98 99 100 101 102 103 104 105 106 107 108
109 110 605 606 607 608 609 610 611
-------------------------
BOYS ORBITAL LOCALIZATION
-------------------------
S.F.BOYS, IN "QUANTUM THEORY OF ATOMS, MOLECULES, AND SOLIDS"
P.O.LOWDIN, ED. ACADEMIC PRESS, NY, 1966 PP253-266.
THIS LOCALIZATION REQUIRES 1371716 WORDS OF MEMORY.
THIS LOCALIZATION HAS 270 ORBITALS, OF WHICH 117 ARE FROZEN.
...... END OF ORBITAL LOCALIZATION ......
CPU 0: STEP CPU TIME= 0.82 TOTAL CPU TIME= 188.3 ( 3.1 MIN)
TOTAL WALL CLOCK TIME= 42.4 SECONDS, CPU UTILIZATION IS 444.13%
cpu time cphf (s)= 4.31
PRECONDITIONED CONJUGATE GRADIENT SOLVER CONV. TOLERANCE=5.00E-05
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 3.50627E-01 3 3026472349 365889542
cpu time cphf (s)= 4.07
2 1.96316E-01 3 3010524872 369428400
cpu time cphf (s)= 3.96
3 2.76401E-02 3 2982579570 371230196
cpu time cphf (s)= 3.70
4 8.56455E-03 3 2893435652 374387070
cpu time cphf (s)= 3.40
5 2.99754E-03 3 2711106096 377567628
cpu time cphf (s)= 3.25
6 6.49528E-04 3 2609200558 379047578
cpu time cphf (s)= 2.90
7 2.71433E-04 3 2338542137 382236921
cpu time cphf (s)= 2.70
8 7.79019E-05 3 2172062789 384034047
cpu time cphf (s)= 2.44
9 2.13326E-05 3 1959387280 386264216
THE CPHF HAS CONVERGED AFTER 9 ITERATIONS.
ts comment CPHFPOL 31.34
.... DONE WITH STATIC POLARIZABILITY ....
CPU 0: STEP CPU TIME= 184.81 TOTAL CPU TIME= 373.1 ( 6.2 MIN)
TOTAL WALL CLOCK TIME= 73.9 SECONDS, CPU UTILIZATION IS 504.81%
PRECONDITIONED CONJUGATE GRADIENT SOLVER CONV. TOLERANCE=5.00E-05
cpu time tdhf_amb (s)= 3.95
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0027916I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.18297E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 1 ITERATIONS.
IT REQUIRED 6 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0151066I (A.U.)
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.69683E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
2 9.70195E-05 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
3 3.57838E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 3 ITERATIONS.
IT REQUIRED 12 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0390017I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.38661E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
2 5.14331E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.93
3 2.41120E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
4 9.22004E-05 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
5 3.74793E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 5 ITERATIONS.
IT REQUIRED 24 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0779961I (A.U.)
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.93
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 7.24931E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
2 1.87412E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
3 7.54333E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.93
4 2.57434E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
5 1.15260E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.93
6 4.77132E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 6 ITERATIONS.
IT REQUIRED 30 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.1386505I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.99990E-01 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
2 1.18117E-01 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
3 3.45536E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.93
4 1.16306E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
5 4.39736E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
6 1.80454E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
7 6.60272E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
8 2.76238E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
9 1.15477E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
10 4.61775E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 10 ITERATIONS.
IT REQUIRED 54 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.2332227I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.76355E-01 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
2 9.98720E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
3 2.78877E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
4 8.43687E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
5 2.70220E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
6 9.77922E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
7 3.16994E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
8 1.16939E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
9 4.54463E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 9 ITERATIONS.
IT REQUIRED 48 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.3858973I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.26266E-01 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
2 7.09057E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
3 1.78197E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
4 4.72259E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
5 1.12124E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
6 3.05384E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
7 8.70104E-05 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
8 2.54438E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 8 ITERATIONS.
IT REQUIRED 42 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.6491140I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 3.38464E-01 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
2 4.07089E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
3 7.90337E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
4 1.62073E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
5 2.96685E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
6 6.45185E-05 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.93
7 1.36251E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 7 ITERATIONS.
IT REQUIRED 36 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 1.1539038I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.24317E-01 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
2 2.25536E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
3 2.77931E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
4 3.75939E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
5 4.57702E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 5 ITERATIONS.
IT REQUIRED 24 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 2.3075922I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 1.23881E-01 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.94
2 9.52622E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
3 4.58918E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.18
cpu time tdhf_amb (s)= 3.93
4 4.27764E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 4 ITERATIONS.
IT REQUIRED 18 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 5.9576432I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.34607E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.94
2 1.33121E-03 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
3 3.44257E-05 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 3 ITERATIONS.
IT REQUIRED 12 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 32.2390801I (A.U.)
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 1.99699E-02 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
2 1.88409E-04 3 3027921675 362170150
cpu time tdhf_apb (s)= 4.17
cpu time tdhf_amb (s)= 3.93
3 8.35209E-07 3 3027921675 362170150
THE CPHF HAS CONVERGED AFTER 3 ITERATIONS.
IT REQUIRED 12 FOCK-LIKE BUILDS TO FIND THE 3 SYMMETRY UNIQUE RESPONSES.
DONE FOR DYNAMIC POLARIZABILITY
ts comment CPHFDYN 532.04
...... DONE WITH CPHF CONTRIBUTIONS ......
CPU 0: STEP CPU TIME= 3142.94 TOTAL CPU TIME= 3516.1 ( 58.6 MIN)
TOTAL WALL CLOCK TIME= 604.9 SECONDS, CPU UTILIZATION IS 581.22%
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.786895 -24.801940 41.557007 49.017923
RHF RI MP2 ENERGY
ESCF= -7048.1077379117
E(2)= -5.4336524762
E(MP2)= -7053.5413903879
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.786895 -24.801940 41.557007 49.017923
Iter= 1 iFrag= 5 EFMOc= -7053.541390388 EFMOu= -7048.107737912
CPU 0: STEP CPU TIME= 143.08 TOTAL CPU TIME= 3659.1 ( 61.0 MIN)
TOTAL WALL CLOCK TIME= 632.0 SECONDS, CPU UTILIZATION IS 578.98%
Monomer SCF synchronisation on iteration 1.1 took 0.0 s.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3659.1 ( 61.0 MIN)
TOTAL WALL CLOCK TIME= 632.0 SECONDS, CPU UTILIZATION IS 578.98%
dmexch needs 1339336 words of memory.
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 3659.2 ( 61.0 MIN)
TOTAL WALL CLOCK TIME= 632.2 SECONDS, CPU UTILIZATION IS 578.84%
Data exchange of 12594342 words took 0.2 s.
1 AFO iteration(s) took 0.1 s.
------------Monomer SCF for layer 1 converged in 1 iterations!------------
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3659.2 ( 61.0 MIN)
TOTAL WALL CLOCK TIME= 632.2 SECONDS, CPU UTILIZATION IS 578.84%
--------------------------------------
EFP TOTAL POLARIZATION CALCULATION
--------------------------------------
INDUCED DIPOLE ATOMIC UNITS DEBYE
-------------- ------------ -----
X(IND) -5.01570 ********
Y(IND) 3.44647 8.76013
Z(IND) -7.56087 ********
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -3.8510183606
--------------------------------------
FINAL EFP ENERGY = -3.8510183606
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT DIPOLES HAVE BEEN PUNCHED
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.138238 -0.313528 1.099367 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
195.761969 -72.621556 160.172607 263.157563
cpu time efpTolpol (s)= 1.56 nproc= 1024
TOTAL POLARIZATION ENERGY = -3.851018361
..... END OF TOTAL POLARIZATION ENERGY .....
CPU 0: STEP CPU TIME= 1.89 TOTAL CPU TIME= 3661.1 ( 61.0 MIN)
TOTAL WALL CLOCK TIME= 638.1 SECONDS, CPU UTILIZATION IS 573.74%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0064719995
--------------------------------------
FINAL EFP ENERGY = -0.0064719995
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 MSN5
X Y Z (BOHR) CHARGE
-32.225172 -11.160365 -1.636353 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.079289 -24.875961 40.812424 48.650805
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-23.569281 21.174210 21.389114 38.227639
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-31.028810 -11.325667 6.631979 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.489992 -3.701751 62.201538 63.974168
cpu time efp_pol (s)= 0.01 nproc= 8
RHF dimer 5 3 corr= MP2 , LL1= 1230 ID= 2
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 213 NBCORE = 213
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 213
NUMBER OF CORE -B- ORBITALS = 213
NUMBER OF OCC. -A- ORBITALS = 505
NUMBER OF OCC. -B- ORBITALS = 505
NUMBER OF MOLECULAR ORBITALS = 1230
NUMBER OF BASIS FUNCTIONS = 1230
AO spaces for 5 3 0 n-mer: L1= 1230, L0= 1230
Preparing AFOs for this system...
There are 11 occupied and 98 virtual frozen LMOs.
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -8569.5830136157 -8569.5830136157 0.060570977 0.000000000 0.000000000 1.000000000 13543717940 4589024447
---------------START SECOND ORDER SCF---------------
2 1 0 -13074.5702136412 -4504.9872000255 0.004779333 0.000818854 0.000000000 0.000000000 12989194377 4617147109
3 2 0 -13074.5706993608 -0.0004857196 0.001676096 0.000259080 0.000000000 0.000000000 11541337293 4640625925
4 3 0 -13074.5707568580 -0.0000574972 0.000412870 0.000119516 0.000000000 0.000000000 10642395904 4650879875
5 4 0 -13074.5707642467 -0.0000073888 0.000145053 0.000021925 0.000000000 0.000000000 9628421817 4661696655
6 5 0 -13074.5707647736 -0.0000005268 0.000046196 0.000009888 0.000000000 0.000000000 8653539612 4671402731
7 6 0 -13074.5707648146 -0.0000000410 0.000012665 0.000001971 0.000000000 0.000000000 7273528131 4684107423
8 7 0 -13074.5707648203 -0.0000000057 0.000005845 0.000000909 0.000000000 0.000000000 6515148858 4691425187
9 8 0 -13074.5707648298 -0.0000000096 0.000001430 0.000000259 0.000000000 0.000000000 5675553240 4699071374
10 9 0 -13074.5707647980 0.0000000318 0.000000518 0.000000067 0.000000000 0.000000000 4756095113 4707626004
11 10 0 -13074.5707648124 -0.0000000144 0.000000163 0.000000027 0.000000000 0.000000000 4055771545 4713928815
12 11 0 -13074.5707648003 0.0000000121 0.000000000 0.000000006 0.000000000 0.000000000 3190684128 4721536345
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 567.8 SECONDS ( 47.3 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 87.2, LAST ITERATION= 27.1
TIME TO SOLVE SCF EQUATIONS= 2.1 SECONDS ( 0.2 SEC/ITER)
FINAL RHF ENERGY IS -13074.5707648003 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 595.15 TOTAL CPU TIME= 4256.2 ( 70.9 MIN)
TOTAL WALL CLOCK TIME= 744.1 SECONDS, CPU UTILIZATION IS 572.03%
RHF RI MP2 ENERGY
ESCF= -13074.5707648003
E(2)= -9.7670066950
E(MP2)= -13084.3377714953
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.697931 -3.668952 62.189972 64.008461
iFrag= 5 jFrag= 3 EFMOc=-13084.337771495
iFrag= 5 jFrag= 3 EFMOu=-13074.570764800 Tr= 0.006471999
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002459293
--------------------------------------
FINAL EFP ENERGY = -0.0002459293
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.474747 -0.063029 5.667076 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.926039 0.958946 -10.029242 10.491281
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.693498 23.299884 -1.508011 28.132625
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-13.403622 -6.997577 16.555402 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.767459 24.258830 -11.537253 29.742344
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 132 1 corr= MP2 , LL1= 942 ID= 380
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 136 NBCORE = 136
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 136
NUMBER OF CORE -B- ORBITALS = 136
NUMBER OF OCC. -A- ORBITALS = 400
NUMBER OF OCC. -B- ORBITALS = 400
NUMBER OF MOLECULAR ORBITALS = 942
NUMBER OF BASIS FUNCTIONS = 942
AO spaces for 132 1 0 n-mer: L1= 942, L0= 942
Preparing AFOs for this system...
There are 0 occupied and 7 virtual frozen LMOs.
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -8671.8704631743 -8671.8704631743 0.024949030 0.000000000 0.000000000 1.000000000 1762689102 3872763224
---------------START SECOND ORDER SCF---------------
2 1 0 -8684.7961544523 -12.9256912780 0.003684702 0.001125211 0.000000000 0.000000000 1520349950 3883167347
3 2 0 -8684.7962145085 -0.0000600562 0.002190033 0.000404061 0.000000000 0.000000000 1364152784 3886188247
4 3 0 -8684.7962212044 -0.0000066959 0.000306629 0.000103888 0.000000000 0.000000000 1300816066 3887354526
5 4 0 -8684.7962222985 -0.0000010941 0.000132386 0.000041521 0.000000000 0.000000000 1186007325 3889318020
6 5 0 -8684.7962223943 -0.0000000957 0.000074945 0.000015329 0.000000000 0.000000000 1059633061 3891400393
7 6 0 -8684.7962224087 -0.0000000144 0.000014190 0.000007424 0.000000000 0.000000000 964471150 3892919299
8 7 0 -8684.7962224124 -0.0000000036 0.000003385 0.000000963 0.000000000 0.000000000 883294633 3894329979
9 8 0 -8684.7962224103 0.0000000020 0.000002056 0.000000331 0.000000000 0.000000000 789611078 3895851051
10 9 0 -8684.7962224080 0.0000000023 0.000000485 0.000000205 0.000000000 0.000000000 700371136 3897241835
11 10 0 -8684.7962224073 0.0000000007 0.000000109 0.000000036 0.000000000 0.000000000 571969976 3899187944
12 11 0 -8684.7962224122 -0.0000000049 0.000000040 0.000000011 0.000000000 0.000000000 490279609 3900534055
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 135.7 SECONDS ( 11.3 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 16.9, LAST ITERATION= 7.9
TIME TO SOLVE SCF EQUATIONS= 1.2 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -8684.7962224122 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 2621.51 TOTAL CPU TIME= 6877.7 ( 114.6 MIN)
TOTAL WALL CLOCK TIME= 1209.0 SECONDS, CPU UTILIZATION IS 568.89%
RHF RI MP2 ENERGY
ESCF= -8684.7962224122
E(2)= -8.6845435589
E(MP2)= -8693.4807659711
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.776987 24.254671 -11.498045 29.727858
iFrag= 132 jFrag= 1 EFMOc= -8693.480765971
iFrag= 132 jFrag= 1 EFMOu= -8684.796222412 Tr= 0.000245929
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002537434
--------------------------------------
FINAL EFP ENERGY = -0.0002537434
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-3.581756 -1.845160 -3.457267 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.709439 -2.740470 -8.882796 10.909259
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.249873 3.545646 -4.689094 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.593166 2.934782 2.888021 5.464838
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.356854 0.986546 -4.104327 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.302605 0.194312 -5.994775 11.068583
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 158 80 corr= MP2 , LL1= 871 ID= 508
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 67 NBCORE = 67
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 67
NUMBER OF CORE -B- ORBITALS = 67
NUMBER OF OCC. -A- ORBITALS = 335
NUMBER OF OCC. -B- ORBITALS = 335
NUMBER OF MOLECULAR ORBITALS = 871
NUMBER OF BASIS FUNCTIONS = 871
AO spaces for 158 80 0 n-mer: L1= 871, L0= 871
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -5090.9600064175 -5090.9600064175 0.031782810 0.000000000 0.000000000 1.000000000 32737970 6069957095
---------------START SECOND ORDER SCF---------------
2 1 0 -5090.9597639344 0.0002424830 0.008597169 0.001833987 0.000000000 0.000000000 31263613 6070687738
3 2 0 -5090.9598710640 -0.0001071296 0.003967478 0.000550583 0.000000000 0.000000000 30482165 6070826948
4 3 0 -5090.9598857723 -0.0000147083 0.000479478 0.000207948 0.000000000 0.000000000 30148512 6070878972
5 4 0 -5090.9598866624 -0.0000008900 0.000213223 0.000055947 0.000000000 0.000000000 29189687 6071002822
6 5 0 -5090.9598867603 -0.0000000979 0.000047398 0.000011314 0.000000000 0.000000000 28152780 6071129666
7 6 0 -5090.9598867670 -0.0000000068 0.000013771 0.000003080 0.000000000 0.000000000 27373739 6071210096
8 7 0 -5090.9598867675 -0.0000000005 0.000004534 0.000001126 0.000000000 0.000000000 26371810 6071310093
9 8 0 -5090.9598867676 -0.0000000000 0.000001044 0.000000405 0.000000000 0.000000000 25498538 6071401353
10 9 0 -5090.9598867676 -0.0000000000 0.000000307 0.000000151 0.000000000 0.000000000 24475843 6071502131
11 10 0 -5090.9598867676 0.0000000000 0.000000071 0.000000027 0.000000000 0.000000000 23460387 6071580500
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 86.8 SECONDS ( 7.9 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 8.0, LAST ITERATION= 7.8
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -5090.9598867676 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 1009.70 TOTAL CPU TIME= 7887.4 ( 131.5 MIN)
TOTAL WALL CLOCK TIME= 1384.7 SECONDS, CPU UTILIZATION IS 569.60%
RHF RI MP2 ENERGY
ESCF= -5090.9598867676
E(2)= -8.5613549581
E(MP2)= -5099.5212417257
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.219927 0.199805 -5.877023 10.935556
iFrag= 158 jFrag= 80 EFMOc= -5099.521241726
iFrag= 158 jFrag= 80 EFMOu= -5090.959886768 Tr= 0.000253743
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001389832
--------------------------------------
FINAL EFP ENERGY = -0.0001389832
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.281253 -0.245402 -3.107605 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.430098 -7.794215 0.404232 7.816532
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-1.284616 -2.141304 3.798748 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.057672 7.438120 0.838844 7.485493
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.282934 -1.193353 0.345571 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.487770 -0.356095 1.243075 1.382013
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 108 corr= MP2 , LL1= 780 ID= 636
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 157 108 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0216036984 -4559.0216036984 0.034453016 0.000000000 0.000000000 1.000000000 28931329 3904866452
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0202836818 0.0013200166 0.008617662 0.002228509 0.000000000 0.000000000 26921514 3905601238
3 2 0 -4559.0203592462 -0.0000755645 0.003531254 0.000658049 0.000000000 0.000000000 25849045 3905758224
4 3 0 -4559.0203660950 -0.0000068487 0.000383316 0.000265644 0.000000000 0.000000000 25404937 3905819009
5 4 0 -4559.0203669183 -0.0000008233 0.000172785 0.000061065 0.000000000 0.000000000 24265658 3905957533
6 5 0 -4559.0203669811 -0.0000000629 0.000088253 0.000019412 0.000000000 0.000000000 23362139 3906079275
7 6 0 -4559.0203669911 -0.0000000100 0.000012375 0.000003189 0.000000000 0.000000000 23069246 3906104156
8 7 0 -4559.0203669913 -0.0000000002 0.000005228 0.000001717 0.000000000 0.000000000 21339346 3906273728
9 8 0 -4559.0203669913 -0.0000000000 0.000001032 0.000000437 0.000000000 0.000000000 21033499 3906298586
10 9 0 -4559.0203669913 0.0000000000 0.000000160 0.000000098 0.000000000 0.000000000 19996668 3906398741
11 10 0 -4559.0203669913 -0.0000000000 0.000000079 0.000000022 0.000000000 0.000000000 18825447 3906497153
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.0 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0203669913 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 923.62 TOTAL CPU TIME= 8811.1 ( 146.9 MIN)
TOTAL WALL CLOCK TIME= 1547.6 SECONDS, CPU UTILIZATION IS 569.35%
RHF RI MP2 ENERGY
ESCF= -4559.0203669913
E(2)= -7.6689640169
E(MP2)= -4566.6893310082
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.462308 -0.279460 1.215044 1.329721
iFrag= 157 jFrag= 108 EFMOc= -4566.689331008
iFrag= 157 jFrag= 108 EFMOu= -4559.020366991 Tr= 0.000138983
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002394393
--------------------------------------
FINAL EFP ENERGY = -0.0002394393
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.486419 16.011734 -13.277907 20.806610
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.306582 1.348667 -4.151202 5.475844
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.381477 5.378456 -4.704640 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.793001 17.360401 -17.429109 24.890645
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 15 10 corr= MP2 , LL1= 780 ID= 764
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 15 10 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0663813823 -4559.0663813823 0.052946901 0.000000000 0.000000000 1.000000000 34080250 3904579093
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0671719831 -0.0007906008 0.012184868 0.002666387 0.000000000 0.000000000 32760339 3905099235
3 2 0 -4559.0673491366 -0.0001771535 0.004582806 0.000789523 0.000000000 0.000000000 31590936 3905266714
4 3 0 -4559.0673653862 -0.0000162496 0.000390719 0.000253903 0.000000000 0.000000000 30891823 3905347526
5 4 0 -4559.0673665020 -0.0000011158 0.000228640 0.000082369 0.000000000 0.000000000 29585366 3905487731
6 5 0 -4559.0673666901 -0.0000001881 0.000088633 0.000024359 0.000000000 0.000000000 28577649 3905621814
7 6 0 -4559.0673667106 -0.0000000204 0.000012149 0.000004462 0.000000000 0.000000000 27806821 3905705834
8 7 0 -4559.0673667112 -0.0000000006 0.000005079 0.000002129 0.000000000 0.000000000 25964690 3905893892
9 8 0 -4559.0673667113 -0.0000000001 0.000001080 0.000000536 0.000000000 0.000000000 25317010 3905956858
10 9 0 -4559.0673667113 -0.0000000000 0.000000264 0.000000192 0.000000000 0.000000000 23553657 3906112276
11 10 0 -4559.0673667113 0.0000000000 0.000000060 0.000000030 0.000000000 0.000000000 22233917 3906229942
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.8 SECONDS ( 5.3 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0673667113 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.48 TOTAL CPU TIME= 9374.5 ( 156.2 MIN)
TOTAL WALL CLOCK TIME= 1647.1 SECONDS, CPU UTILIZATION IS 569.16%
RHF RI MP2 ENERGY
ESCF= -4559.0673667113
E(2)= -7.6701862620
E(MP2)= -4566.7375529733
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.831642 17.321923 -17.448360 24.883243
iFrag= 15 jFrag= 10 EFMOc= -4566.737552973
iFrag= 15 jFrag= 10 EFMOu= -4559.067366711 Tr= 0.000239439
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002770581
--------------------------------------
FINAL EFP ENERGY = -0.0002770581
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.772929 -0.343911 2.350119 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.021102 8.021897 8.100585 15.856702
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.446860 3.523964 -6.271998 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.006595 -4.385466 -5.548736 7.143809
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.109894 1.590026 -1.960940 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.027697 3.636431 2.551850 12.821898
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 22 13 corr= MP2 , LL1= 780 ID= 892
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 22 13 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0463158571 -4559.0463158571 0.018857478 0.000000000 0.000000000 1.000000000 25715474 3905320664
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0436225570 0.0026933001 0.003266601 0.001942072 0.000000000 0.000000000 24705101 3905787636
3 2 0 -4559.0436754551 -0.0000528981 0.001535976 0.000777715 0.000000000 0.000000000 23939126 3905908704
4 3 0 -4559.0436832639 -0.0000078088 0.000246045 0.000227993 0.000000000 0.000000000 23613910 3905950738
5 4 0 -4559.0436838923 -0.0000006284 0.000104493 0.000054297 0.000000000 0.000000000 22749932 3906060810
6 5 0 -4559.0436839417 -0.0000000494 0.000042427 0.000020280 0.000000000 0.000000000 22247923 3906134985
7 6 0 -4559.0436839459 -0.0000000042 0.000006915 0.000003324 0.000000000 0.000000000 21446839 3906239154
8 7 0 -4559.0436839461 -0.0000000002 0.000001430 0.000000794 0.000000000 0.000000000 20704401 3906325936
9 8 0 -4559.0436839461 0.0000000000 0.000000494 0.000000271 0.000000000 0.000000000 20065530 3906391307
10 9 0 -4559.0436839461 -0.0000000000 0.000000174 0.000000110 0.000000000 0.000000000 19020787 3906471388
11 10 0 -4559.0436839461 0.0000000000 0.000000050 0.000000028 0.000000000 0.000000000 18341495 3906523557
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0436839461 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.49 TOTAL CPU TIME= 9936.0 ( 165.6 MIN)
TOTAL WALL CLOCK TIME= 1747.6 SECONDS, CPU UTILIZATION IS 568.54%
RHF RI MP2 ENERGY
ESCF= -4559.0436839461
E(2)= -7.6651526102
E(MP2)= -4566.7088365563
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.026284 3.641354 2.552794 12.822157
iFrag= 22 jFrag= 13 EFMOc= -4566.708836556
iFrag= 22 jFrag= 13 EFMOu= -4559.043683946 Tr= 0.000277058
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0009025818
--------------------------------------
FINAL EFP ENERGY = -0.0009025818
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.340083 2.366448 -0.459878 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.242878 0.358648 6.105191 6.120537
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.648810 10.418020 -2.404061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.927132 -1.092960 6.754001 7.108089
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.494447 6.392234 -1.431970 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.170010 -0.734313 12.859192 13.061661
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 46 31 corr= MP2 , LL1= 780 ID= 1020
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 46 31 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0756755097 -4559.0756755097 0.049543056 0.000000000 0.000000000 1.000000000 30029133 3904617593
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0279645175 0.0477109923 0.009734118 0.004553799 0.000000000 0.000000000 29544886 3905237107
3 2 0 -4559.0287217458 -0.0007572283 0.005739112 0.001461435 0.000000000 0.000000000 28637038 3905424353
4 3 0 -4559.0288228000 -0.0001010542 0.001287697 0.000692945 0.000000000 0.000000000 28214498 3905492413
5 4 0 -4559.0288318135 -0.0000090135 0.000278166 0.000159860 0.000000000 0.000000000 27040251 3905648095
6 5 0 -4559.0288326063 -0.0000007928 0.000157680 0.000042164 0.000000000 0.000000000 26018808 3905794096
7 6 0 -4559.0288326905 -0.0000000841 0.000027656 0.000008924 0.000000000 0.000000000 25275968 3905895624
8 7 0 -4559.0288326936 -0.0000000032 0.000011977 0.000002624 0.000000000 0.000000000 23934083 3906034170
9 8 0 -4559.0288326941 -0.0000000005 0.000002474 0.000001248 0.000000000 0.000000000 23444885 3906082986
10 9 0 -4559.0288326942 -0.0000000000 0.000000467 0.000000175 0.000000000 0.000000000 22146956 3906196628
11 10 0 -4559.0288326942 -0.0000000000 0.000000161 0.000000057 0.000000000 0.000000000 21332206 3906271612
12 11 0 -4559.0288326942 -0.0000000000 0.000000038 0.000000014 0.000000000 0.000000000 20696120 3906332550
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.5 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0288326942 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.21 TOTAL CPU TIME= 10503.2 ( 175.1 MIN)
TOTAL WALL CLOCK TIME= 1848.0 SECONDS, CPU UTILIZATION IS 568.34%
RHF RI MP2 ENERGY
ESCF= -4559.0288326942
E(2)= -7.6713958645
E(MP2)= -4566.7002285587
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.981690 -0.822078 12.882127 13.059560
iFrag= 46 jFrag= 31 EFMOc= -4566.700228559
iFrag= 46 jFrag= 31 EFMOu= -4559.028832694 Tr= 0.000902582
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002666604
--------------------------------------
FINAL EFP ENERGY = -0.0002666604
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
2.906718 -5.282651 2.797385 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.107156 9.999560 -3.660689 10.855043
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.559643 0.912600 4.045943 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.059357 16.252270 0.438246 16.258286
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.233180 -2.185026 3.421664 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.047798 26.251830 -3.222443 26.528027
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 28 11 corr= MP2 , LL1= 780 ID= 1148
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 28 11 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0644602933 -4559.0644602933 0.029151473 0.000000000 0.000000000 1.000000000 25095007 3905147491
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0608484945 0.0036117988 0.006589384 0.003230215 0.000000000 0.000000000 23542225 3905858903
3 2 0 -4559.0610179374 -0.0001694429 0.003696510 0.001312039 0.000000000 0.000000000 22794765 3905987790
4 3 0 -4559.0610449504 -0.0000270131 0.000680429 0.000684680 0.000000000 0.000000000 22543571 3906025200
5 4 0 -4559.0610472119 -0.0000022615 0.000156681 0.000075110 0.000000000 0.000000000 21695405 3906134146
6 5 0 -4559.0610472809 -0.0000000690 0.000032125 0.000019463 0.000000000 0.000000000 20833523 3906260020
7 6 0 -4559.0610472872 -0.0000000063 0.000008615 0.000005343 0.000000000 0.000000000 20386135 3906319207
8 7 0 -4559.0610472875 -0.0000000002 0.000003387 0.000002464 0.000000000 0.000000000 19601088 3906400178
9 8 0 -4559.0610472875 -0.0000000001 0.000000671 0.000000345 0.000000000 0.000000000 19142667 3906450186
10 9 0 -4559.0610472875 0.0000000000 0.000000252 0.000000098 0.000000000 0.000000000 18191636 3906538201
11 10 0 -4559.0610472875 -0.0000000000 0.000000055 0.000000024 0.000000000 0.000000000 18033125 3906557739
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0610472875 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.71 TOTAL CPU TIME= 11065.9 ( 184.4 MIN)
TOTAL WALL CLOCK TIME= 1947.3 SECONDS, CPU UTILIZATION IS 568.26%
RHF RI MP2 ENERGY
ESCF= -4559.0610472875
E(2)= -7.6651002584
E(MP2)= -4566.7261475459
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.185996 26.485167 -3.268758 26.775501
iFrag= 28 jFrag= 11 EFMOc= -4566.726147546
iFrag= 28 jFrag= 11 EFMOu= -4559.061047288 Tr= 0.000266660
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001854623
--------------------------------------
FINAL EFP ENERGY = -0.0001854623
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.281253 -0.245402 -3.107605 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.438253 -7.782545 0.415917 7.805963
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.153948 3.321283 10.864267 12.096218
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.079645 -1.492566 -3.842610 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.592201 -4.461262 11.280183 12.970494
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 157 51 corr= MP2 , LL1= 780 ID= 1276
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 157 51 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0453808177 -4559.0453808177 0.049135318 0.000000000 0.000000000 1.000000000 22339896 3905776202
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0467311401 -0.0013503225 0.010356096 0.002012202 0.000000000 0.000000000 21738584 3906084741
3 2 0 -4559.0468846004 -0.0001534603 0.003682192 0.000708466 0.000000000 0.000000000 21257444 3906162917
4 3 0 -4559.0468975997 -0.0000129993 0.000676869 0.000361219 0.000000000 0.000000000 20974674 3906198002
5 4 0 -4559.0468988477 -0.0000012480 0.000222669 0.000097067 0.000000000 0.000000000 20359125 3906266124
6 5 0 -4559.0468989957 -0.0000001480 0.000070929 0.000024220 0.000000000 0.000000000 19947034 3906327120
7 6 0 -4559.0468990147 -0.0000000190 0.000010830 0.000004939 0.000000000 0.000000000 19720709 3906354937
8 7 0 -4559.0468990152 -0.0000000005 0.000004645 0.000001485 0.000000000 0.000000000 19008136 3906434103
9 8 0 -4559.0468990153 -0.0000000001 0.000001260 0.000000544 0.000000000 0.000000000 18743934 3906460119
10 9 0 -4559.0468990153 0.0000000000 0.000000234 0.000000216 0.000000000 0.000000000 18133603 3906520242
11 10 0 -4559.0468990153 -0.0000000000 0.000000074 0.000000026 0.000000000 0.000000000 17654118 3906561337
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0468990153 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.93 TOTAL CPU TIME= 11627.9 ( 193.8 MIN)
TOTAL WALL CLOCK TIME= 2046.6 SECONDS, CPU UTILIZATION IS 568.16%
RHF RI MP2 ENERGY
ESCF= -4559.0468990153
E(2)= -7.6655176710
E(MP2)= -4566.7124166864
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.533408 -4.479534 11.234755 12.916568
iFrag= 157 jFrag= 51 EFMOc= -4566.712416686
iFrag= 157 jFrag= 51 EFMOu= -4559.046899015 Tr= 0.000185462
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002498302
--------------------------------------
FINAL EFP ENERGY = -0.0002498302
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.429802 -2.908890 0.746084 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.734914 7.678907 2.246096 8.455195
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.046706 6.746798 -0.013668 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.132038 -0.518098 -6.929991 7.269029
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.691548 1.918954 0.366208 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.866952 7.160810 -4.683895 9.843947
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 54 27 corr= MP2 , LL1= 780 ID= 1404
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 54 27 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0309668692 -4559.0309668692 0.047700011 0.000000000 0.000000000 1.000000000 25291731 3905403453
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0216020174 0.0093648518 0.012732474 0.003720657 0.000000000 0.000000000 24426051 3905836939
3 2 0 -4559.0217752756 -0.0001732583 0.005246969 0.001260788 0.000000000 0.000000000 23757165 3905944886
4 3 0 -4559.0217934296 -0.0000181540 0.000460419 0.000295190 0.000000000 0.000000000 23422033 3905990589
5 4 0 -4559.0217947146 -0.0000012850 0.000275195 0.000098033 0.000000000 0.000000000 22759792 3906068273
6 5 0 -4559.0217949392 -0.0000002246 0.000108490 0.000024612 0.000000000 0.000000000 22240145 3906138429
7 6 0 -4559.0217949623 -0.0000000230 0.000019195 0.000003676 0.000000000 0.000000000 21877596 3906182996
8 7 0 -4559.0217949629 -0.0000000006 0.000007733 0.000002262 0.000000000 0.000000000 21128994 3906262383
9 8 0 -4559.0217949630 -0.0000000001 0.000001478 0.000000659 0.000000000 0.000000000 20871951 3906292426
10 9 0 -4559.0217949630 -0.0000000000 0.000000294 0.000000176 0.000000000 0.000000000 20144643 3906367885
11 10 0 -4559.0217949630 0.0000000000 0.000000151 0.000000038 0.000000000 0.000000000 19576243 3906426206
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0217949630 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.08 TOTAL CPU TIME= 12191.0 ( 203.2 MIN)
TOTAL WALL CLOCK TIME= 2145.9 SECONDS, CPU UTILIZATION IS 568.10%
RHF RI MP2 ENERGY
ESCF= -4559.0217949630
E(2)= -7.6678996412
E(MP2)= -4566.6896946042
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.864153 7.081053 -4.839135 9.859946
iFrag= 54 jFrag= 27 EFMOc= -4566.689694604
iFrag= 54 jFrag= 27 EFMOu= -4559.021794963 Tr= 0.000249830
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001174996
--------------------------------------
FINAL EFP ENERGY = -0.0001174996
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.196761 -6.362523 8.523129 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.471904 1.435773 7.754030 8.264184
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.105441 2.081255 3.046020 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.336278 9.697122 8.071935 14.594906
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.454340 -2.140634 5.784574 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.808182 11.132895 15.825965 21.693385
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 56 48 corr= MP2 , LL1= 780 ID= 1532
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 56 48 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0520936816 -4559.0520936816 0.026814740 0.000000000 0.000000000 1.000000000 24735110 3905328099
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0518211086 0.0002725730 0.005827819 0.001242311 0.000000000 0.000000000 23523561 3905878967
3 2 0 -4559.0518617968 -0.0000406883 0.002249971 0.000335824 0.000000000 0.000000000 22724656 3906004059
4 3 0 -4559.0518657722 -0.0000039754 0.000374853 0.000181462 0.000000000 0.000000000 22336385 3906056594
5 4 0 -4559.0518663078 -0.0000005356 0.000140575 0.000051300 0.000000000 0.000000000 21413576 3906173348
6 5 0 -4559.0518663450 -0.0000000371 0.000037295 0.000012763 0.000000000 0.000000000 20834405 3906250402
7 6 0 -4559.0518663500 -0.0000000050 0.000004465 0.000002227 0.000000000 0.000000000 20362941 3906309323
8 7 0 -4559.0518663502 -0.0000000002 0.000002455 0.000000759 0.000000000 0.000000000 19150782 3906425655
9 8 0 -4559.0518663502 -0.0000000000 0.000000549 0.000000277 0.000000000 0.000000000 18793344 3906458446
10 9 0 -4559.0518663502 0.0000000000 0.000000169 0.000000109 0.000000000 0.000000000 17885876 3906543483
11 10 0 -4559.0518663502 -0.0000000000 0.000000068 0.000000020 0.000000000 0.000000000 17241286 3906601374
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0518663502 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.28 TOTAL CPU TIME= 12753.2 ( 212.6 MIN)
TOTAL WALL CLOCK TIME= 2245.2 SECONDS, CPU UTILIZATION IS 568.03%
RHF RI MP2 ENERGY
ESCF= -4559.0518663502
E(2)= -7.6656436414
E(MP2)= -4566.7175099916
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.801206 11.146404 15.862473 21.723812
iFrag= 56 jFrag= 48 EFMOc= -4566.717509992
iFrag= 56 jFrag= 48 EFMOu= -4559.051866350 Tr= 0.000117500
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001653227
--------------------------------------
FINAL EFP ENERGY = -0.0001653227
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.839858 6.778210 6.140293 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.155285 5.559260 -5.608307 8.185581
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.621600 10.131124 -1.388847 10.244753
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.184770 3.537219 2.001638 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.533685 15.690384 -6.997154 17.248203
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 59 8 corr= MP2 , LL1= 780 ID= 1660
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 59 8 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0373543880 -4559.0373543880 0.043890137 0.000000000 0.000000000 1.000000000 24983740 3905396283
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0388295519 -0.0014751639 0.009649311 0.002347690 0.000000000 0.000000000 23952314 3905862803
3 2 0 -4559.0389456835 -0.0001161316 0.003620452 0.000767523 0.000000000 0.000000000 23233396 3905978313
4 3 0 -4559.0389562949 -0.0000106113 0.000410120 0.000227342 0.000000000 0.000000000 22912971 3906024439
5 4 0 -4559.0389574983 -0.0000012035 0.000217935 0.000060967 0.000000000 0.000000000 22175758 3906112595
6 5 0 -4559.0389576036 -0.0000001053 0.000071774 0.000015711 0.000000000 0.000000000 21583862 3906201682
7 6 0 -4559.0389576179 -0.0000000143 0.000006211 0.000003591 0.000000000 0.000000000 21220550 3906239509
8 7 0 -4559.0389576183 -0.0000000004 0.000003255 0.000001776 0.000000000 0.000000000 20197271 3906346644
9 8 0 -4559.0389576184 -0.0000000001 0.000000703 0.000000310 0.000000000 0.000000000 19811570 3906380224
10 9 0 -4559.0389576184 -0.0000000000 0.000000152 0.000000171 0.000000000 0.000000000 18977302 3906462548
11 10 0 -4559.0389576184 -0.0000000000 0.000000049 0.000000021 0.000000000 0.000000000 18448042 3906515777
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0389576184 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.13 TOTAL CPU TIME= 13315.4 ( 221.9 MIN)
TOTAL WALL CLOCK TIME= 2344.3 SECONDS, CPU UTILIZATION IS 567.98%
RHF RI MP2 ENERGY
ESCF= -4559.0389576184
E(2)= -7.6669787218
E(MP2)= -4566.7059363402
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.555821 15.717318 -6.995834 17.274153
iFrag= 59 jFrag= 8 EFMOc= -4566.705936340
iFrag= 59 jFrag= 8 EFMOu= -4559.038957618 Tr= 0.000165323
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006579021
--------------------------------------
FINAL EFP ENERGY = -0.0006579021
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.749846 3.382504 -4.425236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.849316 -2.513059 -15.059727 17.167487
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.389590 8.855373 2.360236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.070247 -6.534625 -3.858915 8.611589
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.569718 6.118939 -1.032500 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.919563 -9.047684 -18.918643 24.121600
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 61 21 corr= MP2 , LL1= 780 ID= 1790
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 61 21 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0999376159 -4559.0999376159 0.105912614 0.000000000 0.000000000 1.000000000 27315789 3905102902
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0279286634 0.0720089525 0.008909486 0.003258586 0.000000000 0.000000000 27012244 3905524832
3 2 0 -4559.0285080852 -0.0005794217 0.005434395 0.001203461 0.000000000 0.000000000 26268905 3905670522
4 3 0 -4559.0285818767 -0.0000737915 0.001028748 0.000564063 0.000000000 0.000000000 25923459 3905725957
5 4 0 -4559.0285893440 -0.0000074673 0.000232355 0.000151438 0.000000000 0.000000000 24984444 3905844015
6 5 0 -4559.0285899816 -0.0000006376 0.000210188 0.000039508 0.000000000 0.000000000 24257899 3905942832
7 6 0 -4559.0285900592 -0.0000000776 0.000037358 0.000010257 0.000000000 0.000000000 23506837 3906032396
8 7 0 -4559.0285900623 -0.0000000032 0.000012793 0.000003817 0.000000000 0.000000000 22332750 3906141837
9 8 0 -4559.0285900628 -0.0000000005 0.000002522 0.000001067 0.000000000 0.000000000 21903998 3906185668
10 9 0 -4559.0285900629 -0.0000000001 0.000000483 0.000000264 0.000000000 0.000000000 20932366 3906289984
11 10 0 -4559.0285900629 -0.0000000000 0.000000204 0.000000062 0.000000000 0.000000000 20231143 3906364787
12 11 0 -4559.0285900629 0.0000000000 0.000000029 0.000000012 0.000000000 0.000000000 19731818 3906430210
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0285900629 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.62 TOTAL CPU TIME= 13883.0 ( 231.4 MIN)
TOTAL WALL CLOCK TIME= 2444.5 SECONDS, CPU UTILIZATION IS 567.92%
RHF RI MP2 ENERGY
ESCF= -4559.0285900629
E(2)= -7.6664781048
E(MP2)= -4566.6950681677
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.038154 -9.265325 -18.910747 24.256541
iFrag= 61 jFrag= 21 EFMOc= -4566.695068168
iFrag= 61 jFrag= 21 EFMOu= -4559.028590063 Tr= 0.000657902
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003646412
--------------------------------------
FINAL EFP ENERGY = -0.0003646412
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.656552 6.208680 -1.339720 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.295389 3.328913 -20.597269 21.526038
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.906718 -5.282651 2.797385 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.101412 9.922301 -3.614051 10.767049
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.281635 0.463014 0.728832 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.396801 13.251214 -24.211320 28.574383
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 63 28 corr= MP2 , LL1= 780 ID= 1918
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 63 28 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0715275730 -4559.0715275730 0.073651622 0.000000000 0.000000000 1.000000000 28478023 3904939738
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0040899007 0.0674376723 0.010940015 0.005350613 0.000000000 0.000000000 27183301 3905541401
3 2 0 -4559.0044861131 -0.0003962124 0.005372040 0.001883575 0.000000000 0.000000000 26311313 3905688207
4 3 0 -4559.0045475507 -0.0000614375 0.001138995 0.000831798 0.000000000 0.000000000 25941494 3905739587
5 4 0 -4559.0045545928 -0.0000070422 0.000528247 0.000178139 0.000000000 0.000000000 24829014 3905881069
6 5 0 -4559.0045553679 -0.0000007751 0.000169032 0.000040245 0.000000000 0.000000000 24241088 3905961654
7 6 0 -4559.0045554119 -0.0000000440 0.000024987 0.000007146 0.000000000 0.000000000 23002874 3906101070
8 7 0 -4559.0045554136 -0.0000000018 0.000005841 0.000002224 0.000000000 0.000000000 22433189 3906159860
9 8 0 -4559.0045554138 -0.0000000002 0.000001713 0.000001375 0.000000000 0.000000000 21866583 3906225388
10 9 0 -4559.0045554138 -0.0000000000 0.000000405 0.000000223 0.000000000 0.000000000 20838975 3906324620
11 10 0 -4559.0045554138 0.0000000000 0.000000161 0.000000052 0.000000000 0.000000000 19957798 3906421372
12 11 0 -4559.0045554138 -0.0000000000 0.000000049 0.000000015 0.000000000 0.000000000 19374416 3906472352
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.2 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -4559.0045554138 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.06 TOTAL CPU TIME= 14451.0 ( 240.9 MIN)
TOTAL WALL CLOCK TIME= 2544.8 SECONDS, CPU UTILIZATION IS 567.87%
RHF RI MP2 ENERGY
ESCF= -4559.0045554138
E(2)= -7.6674073842
E(MP2)= -4566.6719627980
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.515659 13.283679 -24.108243 28.533290
iFrag= 63 jFrag= 28 EFMOc= -4566.671962798
iFrag= 63 jFrag= 28 EFMOu= -4559.004555414 Tr= 0.000364641
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006157281
--------------------------------------
FINAL EFP ENERGY = -0.0006157281
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
10.577144 -1.867239 -5.914108 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.022165 -1.638844 9.780165 13.406599
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.772929 -0.343911 2.350119 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.933138 7.827984 8.143104 15.720082
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.902108 -1.105575 -1.781995 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.910972 6.189140 17.923269 19.057829
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 52 22 corr= MP2 , LL1= 780 ID= 2047
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 52 22 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0743661000 -4559.0743661000 0.090347534 0.000000000 0.000000000 1.000000000 31776849 3904706697
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0172205389 0.0571455611 0.013713307 0.007316261 0.000000000 0.000000000 31179638 3905179078
3 2 0 -4559.0177310001 -0.0005104612 0.006153597 0.001454865 0.000000000 0.000000000 30263841 3905336828
4 3 0 -4559.0177855399 -0.0000545398 0.000977420 0.000810252 0.000000000 0.000000000 29800492 3905404616
5 4 0 -4559.0177925095 -0.0000069696 0.000260507 0.000123099 0.000000000 0.000000000 28774784 3905540528
6 5 0 -4559.0177928879 -0.0000003784 0.000134680 0.000042075 0.000000000 0.000000000 27896451 3905644099
7 6 0 -4559.0177929461 -0.0000000581 0.000014426 0.000011155 0.000000000 0.000000000 27060058 3905737914
8 7 0 -4559.0177929476 -0.0000000016 0.000005343 0.000001807 0.000000000 0.000000000 25561884 3905896110
9 8 0 -4559.0177929478 -0.0000000002 0.000001733 0.000001049 0.000000000 0.000000000 24898572 3905961566
10 9 0 -4559.0177929478 -0.0000000000 0.000000568 0.000000346 0.000000000 0.000000000 23392392 3906091667
11 10 0 -4559.0177929478 -0.0000000000 0.000000263 0.000000057 0.000000000 0.000000000 22137483 3906212859
12 11 0 -4559.0177929478 -0.0000000000 0.000000037 0.000000022 0.000000000 0.000000000 21213024 3906308876
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.6 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0177929478 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.15 TOTAL CPU TIME= 15019.2 ( 250.3 MIN)
TOTAL WALL CLOCK TIME= 2645.1 SECONDS, CPU UTILIZATION IS 567.82%
RHF RI MP2 ENERGY
ESCF= -4559.0177929478
E(2)= -7.6695988822
E(MP2)= -4566.6873918300
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.939482 6.167221 18.010740 19.135907
iFrag= 52 jFrag= 22 EFMOc= -4566.687391830
iFrag= 52 jFrag= 22 EFMOu= -4559.017792948 Tr= 0.000615728
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001235252
--------------------------------------
FINAL EFP ENERGY = -0.0001235252
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.135572 3.403453 10.913680 12.157091
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.696647 10.087980 -1.371289 10.204562
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.455430 -1.221751 -3.357315 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.832219 13.491433 9.542391 17.217036
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 51 8 corr= MP2 , LL1= 780 ID= 2176
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 51 8 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0412940527 -4559.0412940527 0.023537473 0.000000000 0.000000000 1.000000000 24068869 3905475537
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0420704505 -0.0007763978 0.005183155 0.001078903 0.000000000 0.000000000 23035353 3905959801
3 2 0 -4559.0421224550 -0.0000520046 0.001867019 0.000366500 0.000000000 0.000000000 22457075 3906061224
4 3 0 -4559.0421269447 -0.0000044896 0.000243961 0.000169115 0.000000000 0.000000000 22141450 3906102752
5 4 0 -4559.0421275147 -0.0000005700 0.000106885 0.000033056 0.000000000 0.000000000 21422449 3906190818
6 5 0 -4559.0421275512 -0.0000000366 0.000036590 0.000012030 0.000000000 0.000000000 20962477 3906253618
7 6 0 -4559.0421275561 -0.0000000048 0.000004828 0.000002075 0.000000000 0.000000000 20721000 3906282177
8 7 0 -4559.0421275562 -0.0000000001 0.000002590 0.000000723 0.000000000 0.000000000 19923172 3906374690
9 8 0 -4559.0421275562 -0.0000000000 0.000000634 0.000000415 0.000000000 0.000000000 19667913 3906402951
10 9 0 -4559.0421275562 0.0000000000 0.000000114 0.000000076 0.000000000 0.000000000 18779003 3906485124
11 10 0 -4559.0421275562 0.0000000000 0.000000062 0.000000019 0.000000000 0.000000000 18253385 3906539804
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0421275562 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.93 TOTAL CPU TIME= 15582.1 ( 259.7 MIN)
TOTAL WALL CLOCK TIME= 2744.5 SECONDS, CPU UTILIZATION IS 567.76%
RHF RI MP2 ENERGY
ESCF= -4559.0421275562
E(2)= -7.6667200341
E(MP2)= -4566.7088475903
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.871940 13.485118 9.553119 17.229228
iFrag= 51 jFrag= 8 EFMOc= -4566.708847590
iFrag= 51 jFrag= 8 EFMOu= -4559.042127556 Tr= 0.000123525
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004128325
--------------------------------------
FINAL EFP ENERGY = -0.0004128325
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.621198 0.989815 0.169777 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.754639 1.681439 3.524973 6.954750
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.095126 7.247145 -8.360755 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.829770 -2.016436 -20.375244 20.669401
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.858162 4.118480 -4.095489 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.924870 -0.334997 -16.850271 17.105517
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 69 58 corr= MP2 , LL1= 780 ID= 2304
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 69 58 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0595932491 -4559.0595932491 0.038403148 0.000000000 0.000000000 1.000000000 25984173 3905349243
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0516407147 0.0079525344 0.010712907 0.003090868 0.000000000 0.000000000 25411534 3905736150
3 2 0 -4559.0519488611 -0.0003081464 0.004714083 0.001006263 0.000000000 0.000000000 24688461 3905853627
4 3 0 -4559.0519853257 -0.0000364646 0.000981241 0.000311600 0.000000000 0.000000000 24380697 3905897863
5 4 0 -4559.0519886449 -0.0000033192 0.000264234 0.000089185 0.000000000 0.000000000 23659697 3905990090
6 5 0 -4559.0519889773 -0.0000003324 0.000118925 0.000026000 0.000000000 0.000000000 23033996 3906078662
7 6 0 -4559.0519890144 -0.0000000370 0.000028103 0.000004723 0.000000000 0.000000000 22445527 3906147148
8 7 0 -4559.0519890156 -0.0000000012 0.000012319 0.000002397 0.000000000 0.000000000 21488379 3906242686
9 8 0 -4559.0519890157 -0.0000000002 0.000002363 0.000000986 0.000000000 0.000000000 21126380 3906283023
10 9 0 -4559.0519890157 -0.0000000000 0.000000322 0.000000202 0.000000000 0.000000000 20000173 3906388080
11 10 0 -4559.0519890157 0.0000000000 0.000000108 0.000000037 0.000000000 0.000000000 19260225 3906457479
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.2 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0519890157 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.37 TOTAL CPU TIME= 16144.5 ( 269.1 MIN)
TOTAL WALL CLOCK TIME= 2844.0 SECONDS, CPU UTILIZATION IS 567.67%
RHF RI MP2 ENERGY
ESCF= -4559.0519890157
E(2)= -7.6661668065
E(MP2)= -4566.7181558222
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.882005 -0.357751 -16.812823 17.061798
iFrag= 69 jFrag= 58 EFMOc= -4566.718155822
iFrag= 69 jFrag= 58 EFMOu= -4559.051989016 Tr= 0.000412833
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003316061
--------------------------------------
FINAL EFP ENERGY = -0.0003316061
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.475555 -1.852263 -0.316523 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.211009 3.196108 -4.760412 5.737696
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-9.419876 -5.282664 -0.949563 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.156446 8.469483 3.915383 11.178739
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.472160 -3.567463 -0.633043 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.945438 11.665591 -0.845029 13.120531
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 71 19 corr= MP2 , LL1= 780 ID= 2433
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 71 19 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0740400679 -4559.0740400679 0.081957442 0.000000000 0.000000000 1.000000000 22149664 3905574151
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0293187134 0.0447213544 0.011374440 0.005134544 0.000000000 0.000000000 20780152 3906155565
3 2 0 -4559.0295856558 -0.0002669424 0.004689862 0.001666879 0.000000000 0.000000000 20088068 3906267215
4 3 0 -4559.0296178623 -0.0000322065 0.000910004 0.000373931 0.000000000 0.000000000 19746891 3906309552
5 4 0 -4559.0296201985 -0.0000023362 0.000368401 0.000147236 0.000000000 0.000000000 18994289 3906395816
6 5 0 -4559.0296205650 -0.0000003665 0.000132712 0.000039772 0.000000000 0.000000000 18363259 3906480981
7 6 0 -4559.0296205989 -0.0000000339 0.000025256 0.000004266 0.000000000 0.000000000 17939522 3906532334
8 7 0 -4559.0296205999 -0.0000000010 0.000008390 0.000002093 0.000000000 0.000000000 17166660 3906599523
9 8 0 -4559.0296206001 -0.0000000001 0.000001624 0.000000930 0.000000000 0.000000000 16859242 3906627760
10 9 0 -4559.0296206000 0.0000000000 0.000000351 0.000000210 0.000000000 0.000000000 16496031 3906658769
11 10 0 -4559.0296206001 -0.0000000001 0.000000138 0.000000056 0.000000000 0.000000000 16112768 3906690038
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.3 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0296206001 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.00 TOTAL CPU TIME= 16706.5 ( 278.4 MIN)
TOTAL WALL CLOCK TIME= 2943.3 SECONDS, CPU UTILIZATION IS 567.61%
RHF RI MP2 ENERGY
ESCF= -4559.0296206001
E(2)= -7.6653306298
E(MP2)= -4566.6949512299
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.874792 11.670121 -0.952628 13.100092
iFrag= 71 jFrag= 19 EFMOc= -4566.694951230
iFrag= 71 jFrag= 19 EFMOu= -4559.029620600 Tr= 0.000331606
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004538554
--------------------------------------
FINAL EFP ENERGY = -0.0004538554
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.584579 6.823508 -4.490443 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.306109 6.976478 12.554924 16.114484
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.946948 2.101552 4.727552 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.126649 -5.830623 5.163858 11.256287
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.181184 4.462530 0.118554 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.432758 1.145856 17.718782 23.525268
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 73 7 corr= MP2 , LL1= 780 ID= 2562
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 73 7 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1065510808 -4559.1065510808 0.057837334 0.000000000 0.000000000 1.000000000 27540276 3905078600
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0783222625 0.0282288182 0.011253315 0.005160344 0.000000000 0.000000000 26213216 3905660183
3 2 0 -4559.0788026266 -0.0004803640 0.006157196 0.001935409 0.000000000 0.000000000 25459788 3905779763
4 3 0 -4559.0788810641 -0.0000784376 0.001108616 0.000792623 0.000000000 0.000000000 25152236 3905817766
5 4 0 -4559.0788879750 -0.0000069109 0.000316403 0.000106737 0.000000000 0.000000000 24120008 3905934764
6 5 0 -4559.0788883595 -0.0000003845 0.000134070 0.000034339 0.000000000 0.000000000 23259105 3906042638
7 6 0 -4559.0788884059 -0.0000000464 0.000022062 0.000007514 0.000000000 0.000000000 22603241 3906126989
8 7 0 -4559.0788884074 -0.0000000015 0.000009655 0.000003208 0.000000000 0.000000000 21673375 3906221289
9 8 0 -4559.0788884076 -0.0000000002 0.000001440 0.000000799 0.000000000 0.000000000 21206841 3906272644
10 9 0 -4559.0788884077 -0.0000000000 0.000000396 0.000000130 0.000000000 0.000000000 20106712 3906369869
11 10 0 -4559.0788884077 0.0000000000 0.000000135 0.000000041 0.000000000 0.000000000 19409465 3906440778
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0788884077 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.41 TOTAL CPU TIME= 17268.9 ( 287.8 MIN)
TOTAL WALL CLOCK TIME= 3042.8 SECONDS, CPU UTILIZATION IS 567.54%
RHF RI MP2 ENERGY
ESCF= -4559.0788884077
E(2)= -7.6674175810
E(MP2)= -4566.7463059887
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.490720 1.056424 17.857248 23.663469
iFrag= 73 jFrag= 7 EFMOc= -4566.746305989
iFrag= 73 jFrag= 7 EFMOu= -4559.078888408 Tr= 0.000453855
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003668563
--------------------------------------
FINAL EFP ENERGY = -0.0003668563
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-6.012497 3.193300 -1.951300 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.955608 -1.658589 1.036763 4.412780
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.656552 6.208680 -1.339720 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.125242 3.221372 -20.680089 21.547886
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.177972 4.700990 -1.645510 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.080849 1.562782 -19.643325 21.697105
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 74 63 corr= MP2 , LL1= 780 ID= 2690
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 74 63 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0126756181 -4559.0126756181 0.048934682 0.000000000 0.000000000 1.000000000 30538447 3904784382
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9894595982 0.0232160199 0.006753630 0.003116311 0.000000000 0.000000000 29039065 3905411914
3 2 0 -4558.9896544429 -0.0001948447 0.003147731 0.000919895 0.000000000 0.000000000 28158953 3905552367
4 3 0 -4558.9896780472 -0.0000236042 0.000531347 0.000413289 0.000000000 0.000000000 27719071 3905612194
5 4 0 -4558.9896793883 -0.0000013411 0.000146373 0.000107578 0.000000000 0.000000000 26698325 3905736201
6 5 0 -4558.9896795421 -0.0000001538 0.000026715 0.000019125 0.000000000 0.000000000 25785843 3905858667
7 6 0 -4558.9896795498 -0.0000000077 0.000011847 0.000003657 0.000000000 0.000000000 25126426 3905937847
8 7 0 -4558.9896795504 -0.0000000006 0.000003689 0.000001152 0.000000000 0.000000000 24253655 3906032276
9 8 0 -4558.9896795505 -0.0000000001 0.000000949 0.000000453 0.000000000 0.000000000 23383808 3906131891
10 9 0 -4558.9896795505 0.0000000000 0.000000198 0.000000086 0.000000000 0.000000000 22431536 3906223760
11 10 0 -4558.9896795505 -0.0000000000 0.000000091 0.000000028 0.000000000 0.000000000 21456604 3906312141
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9896795505 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.27 TOTAL CPU TIME= 17832.2 ( 297.2 MIN)
TOTAL WALL CLOCK TIME= 3142.2 SECONDS, CPU UTILIZATION IS 567.51%
RHF RI MP2 ENERGY
ESCF= -4558.9896795505
E(2)= -7.6725931119
E(MP2)= -4566.6622726624
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.078702 1.542915 -19.624415 21.677664
iFrag= 74 jFrag= 63 EFMOc= -4566.662272662
iFrag= 74 jFrag= 63 EFMOu= -4558.989679550 Tr= 0.000366856
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004924031
--------------------------------------
FINAL EFP ENERGY = -0.0004924031
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.293073 1.884421 0.554097 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.888542 14.144421 -2.254095 19.950869
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.177364 4.303952 -0.441470 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.354895 -10.812502 6.401017 14.559454
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.735219 3.094186 0.056314 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.243437 3.331919 4.146922 21.899367
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 76 44 corr= MP2 , LL1= 780 ID= 2818
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 76 44 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0683661415 -4559.0683661415 0.056461455 0.000000000 0.000000000 1.000000000 30817953 3904585874
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0620661069 0.0063000347 0.015535304 0.003373753 0.000000000 0.000000000 29695456 3905268363
3 2 0 -4559.0624705904 -0.0004044836 0.007846340 0.001321146 0.000000000 0.000000000 28770550 3905430727
4 3 0 -4559.0625261297 -0.0000555393 0.000906643 0.000521077 0.000000000 0.000000000 28309294 3905489466
5 4 0 -4559.0625311457 -0.0000050160 0.000331585 0.000093694 0.000000000 0.000000000 27178745 3905627758
6 5 0 -4559.0625314049 -0.0000002592 0.000075171 0.000023141 0.000000000 0.000000000 26093310 3905783783
7 6 0 -4559.0625314314 -0.0000000265 0.000019440 0.000005808 0.000000000 0.000000000 25423645 3905869955
8 7 0 -4559.0625314325 -0.0000000011 0.000009357 0.000002491 0.000000000 0.000000000 24247848 3905997585
9 8 0 -4559.0625314327 -0.0000000002 0.000001586 0.000000806 0.000000000 0.000000000 23573920 3906064982
10 9 0 -4559.0625314327 -0.0000000000 0.000000335 0.000000138 0.000000000 0.000000000 21895400 3906199506
11 10 0 -4559.0625314328 -0.0000000000 0.000000141 0.000000044 0.000000000 0.000000000 21336041 3906270337
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.5 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0625314328 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.55 TOTAL CPU TIME= 18394.7 ( 306.6 MIN)
TOTAL WALL CLOCK TIME= 3241.6 SECONDS, CPU UTILIZATION IS 567.46%
RHF RI MP2 ENERGY
ESCF= -4559.0625314328
E(2)= -7.6703937764
E(MP2)= -4566.7329252092
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.371597 3.021924 4.139928 21.977629
iFrag= 76 jFrag= 44 EFMOc= -4566.732925209
iFrag= 76 jFrag= 44 EFMOu= -4559.062531433 Tr= 0.000492403
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002385001
--------------------------------------
FINAL EFP ENERGY = -0.0002385001
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-13.373471 0.358536 -6.147044 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.184973 -13.231468 -11.071781 19.545327
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.389590 8.855373 2.360236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.932194 -6.498415 -3.812646 8.498695
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.491941 4.606955 -1.893404 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.252778 -19.729883 -14.884427 25.266700
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 78 21 corr= MP2 , LL1= 780 ID= 2946
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 78 21 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0403581886 -4559.0403581886 0.028064923 0.000000000 0.000000000 1.000000000 26368623 3905069597
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0380040029 0.0023541858 0.005245928 0.001886763 0.000000000 0.000000000 25088518 3905706034
3 2 0 -4559.0380871520 -0.0000831492 0.002172600 0.000469350 0.000000000 0.000000000 24269999 3905842039
4 3 0 -4559.0380971496 -0.0000099976 0.000373680 0.000118500 0.000000000 0.000000000 23868974 3905898545
5 4 0 -4559.0380977090 -0.0000005593 0.000141099 0.000053079 0.000000000 0.000000000 22943223 3906004862
6 5 0 -4559.0380978172 -0.0000001082 0.000058301 0.000013164 0.000000000 0.000000000 22221235 3906106784
7 6 0 -4559.0380978248 -0.0000000076 0.000015226 0.000003099 0.000000000 0.000000000 21461790 3906201752
8 7 0 -4559.0380978252 -0.0000000004 0.000004829 0.000001006 0.000000000 0.000000000 20483040 3906304250
9 8 0 -4559.0380978253 -0.0000000001 0.000000515 0.000000190 0.000000000 0.000000000 19988514 3906354709
10 9 0 -4559.0380978253 0.0000000000 0.000000207 0.000000071 0.000000000 0.000000000 19006658 3906455816
11 10 0 -4559.0380978253 -0.0000000000 0.000000045 0.000000016 0.000000000 0.000000000 18620746 3906490230
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0380978253 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.71 TOTAL CPU TIME= 18956.4 ( 315.9 MIN)
TOTAL WALL CLOCK TIME= 3341.0 SECONDS, CPU UTILIZATION IS 567.39%
RHF RI MP2 ENERGY
ESCF= -4559.0380978253
E(2)= -7.6669749971
E(MP2)= -4566.7050728224
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.261948 -19.834480 -14.937863 25.381774
iFrag= 78 jFrag= 21 EFMOc= -4566.705072822
iFrag= 78 jFrag= 21 EFMOu= -4559.038097825 Tr= 0.000238500
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004009954
--------------------------------------
FINAL EFP ENERGY = -0.0004009954
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.315202 -11.160610 4.621611 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.853761 -10.151602 -0.116519 10.320127
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.155538 2.945429 4.251406 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.132729 -7.195194 4.898920 10.105204
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.735370 -4.107591 4.436508 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.986490 -17.346796 4.782401 19.302687
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 79 72 corr= MP2 , LL1= 780 ID= 3074
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 79 72 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0749886333 -4559.0749886333 0.060738619 0.000000000 0.000000000 1.000000000 25080263 3905239506
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0684193074 0.0065693259 0.015222268 0.004837589 0.000000000 0.000000000 23796217 3905838911
3 2 0 -4559.0688240283 -0.0004047209 0.007359817 0.001480589 0.000000000 0.000000000 23112379 3905965156
4 3 0 -4559.0688764898 -0.0000524616 0.000941974 0.000822550 0.000000000 0.000000000 22832101 3906008002
5 4 0 -4559.0688813050 -0.0000048152 0.000304835 0.000111698 0.000000000 0.000000000 21923939 3906121297
6 5 0 -4559.0688815338 -0.0000002288 0.000074731 0.000027240 0.000000000 0.000000000 21077144 3906230784
7 6 0 -4559.0688815577 -0.0000000239 0.000014317 0.000007879 0.000000000 0.000000000 20703538 3906269142
8 7 0 -4559.0688815588 -0.0000000011 0.000006581 0.000004322 0.000000000 0.000000000 19917047 3906356651
9 8 0 -4559.0688815590 -0.0000000002 0.000001976 0.000001115 0.000000000 0.000000000 19484438 3906402105
10 9 0 -4559.0688815590 -0.0000000000 0.000000275 0.000000143 0.000000000 0.000000000 18683029 3906477802
11 10 0 -4559.0688815590 -0.0000000000 0.000000153 0.000000039 0.000000000 0.000000000 18298413 3906523778
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0688815590 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.59 TOTAL CPU TIME= 19519.0 ( 325.3 MIN)
TOTAL WALL CLOCK TIME= 3440.4 SECONDS, CPU UTILIZATION IS 567.35%
RHF RI MP2 ENERGY
ESCF= -4559.0688815590
E(2)= -7.6669041729
E(MP2)= -4566.7357857319
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.117701 -17.510417 4.700418 19.477431
iFrag= 79 jFrag= 72 EFMOc= -4566.735785732
iFrag= 79 jFrag= 72 EFMOu= -4559.068881559 Tr= 0.000400995
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004141947
--------------------------------------
FINAL EFP ENERGY = -0.0004141947
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.263374 4.332527 -1.040724 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.540274 2.611858 2.273273 9.215522
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.293073 1.884421 0.554097 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.866067 14.276673 -2.245360 20.028301
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.278224 3.108474 -0.243313 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
22.406341 16.888531 0.027913 28.058285
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 114 76 corr= MP2 , LL1= 780 ID= 3201
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 114 76 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0675290929 -4559.0675290929 0.060232136 0.000000000 0.000000000 1.000000000 26943198 3905020079
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0608175851 0.0067115078 0.015075431 0.004504632 0.000000000 0.000000000 25839212 3905649592
3 2 0 -4559.0612162217 -0.0003986366 0.006520161 0.001263838 0.000000000 0.000000000 25128775 3905786120
4 3 0 -4559.0612621016 -0.0000458799 0.000747229 0.000301938 0.000000000 0.000000000 24733796 3905843137
5 4 0 -4559.0612644210 -0.0000023194 0.000262698 0.000123670 0.000000000 0.000000000 23762699 3905955985
6 5 0 -4559.0612648271 -0.0000004061 0.000105500 0.000029755 0.000000000 0.000000000 23021055 3906060041
7 6 0 -4559.0612648587 -0.0000000315 0.000027084 0.000008117 0.000000000 0.000000000 22420494 3906131060
8 7 0 -4559.0612648603 -0.0000000017 0.000010316 0.000003029 0.000000000 0.000000000 21447079 3906226819
9 8 0 -4559.0612648605 -0.0000000002 0.000002290 0.000000939 0.000000000 0.000000000 21020659 3906273977
10 9 0 -4559.0612648606 -0.0000000000 0.000000473 0.000000259 0.000000000 0.000000000 20202869 3906348654
11 10 0 -4559.0612648605 0.0000000000 0.000000110 0.000000043 0.000000000 0.000000000 19549098 3906404544
12 11 0 -4559.0612648605 -0.0000000000 0.000000055 0.000000013 0.000000000 0.000000000 19008188 3906470195
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0612648605 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.30 TOTAL CPU TIME= 20087.3 ( 334.8 MIN)
TOTAL WALL CLOCK TIME= 3540.7 SECONDS, CPU UTILIZATION IS 567.32%
RHF RI MP2 ENERGY
ESCF= -4559.0612648605
E(2)= -7.6694760327
E(MP2)= -4566.7307408933
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
22.393102 16.941856 0.097635 28.080011
iFrag= 114 jFrag= 76 EFMOc= -4566.730740893
iFrag= 114 jFrag= 76 EFMOu= -4559.061264861 Tr= 0.000414195
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002920719
--------------------------------------
FINAL EFP ENERGY = -0.0002920719
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.363860 -4.120802 -4.947462 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.410332 2.036137 -3.987333 5.628058
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.452128 1.501500 -4.087869 5.557191
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.479519 3.196717 -4.870796 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.041796 3.537637 -8.075202 8.816208
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 83 10 corr= MP2 , LL1= 780 ID= 3330
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 83 10 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0767222576 -4559.0767222576 0.057079018 0.000000000 0.000000000 1.000000000 29039897 3904975681
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0648549563 0.0118673013 0.016113379 0.004343161 0.000000000 0.000000000 27532318 3905545097
3 2 0 -4559.0651375026 -0.0002825464 0.008640264 0.001633273 0.000000000 0.000000000 26623864 3905683348
4 3 0 -4559.0651805384 -0.0000430357 0.000924773 0.000670234 0.000000000 0.000000000 26290525 3905725541
5 4 0 -4559.0651841357 -0.0000035973 0.000379826 0.000106207 0.000000000 0.000000000 25304578 3905839051
6 5 0 -4559.0651843355 -0.0000001998 0.000087139 0.000028308 0.000000000 0.000000000 24235082 3905976183
7 6 0 -4559.0651843576 -0.0000000221 0.000025185 0.000008441 0.000000000 0.000000000 23481270 3906063794
8 7 0 -4559.0651843585 -0.0000000009 0.000010141 0.000003427 0.000000000 0.000000000 22273051 3906171689
9 8 0 -4559.0651843587 -0.0000000002 0.000002452 0.000000880 0.000000000 0.000000000 21606809 3906235455
10 9 0 -4559.0651843587 -0.0000000000 0.000000300 0.000000140 0.000000000 0.000000000 20363323 3906343699
11 10 0 -4559.0651843587 -0.0000000000 0.000000099 0.000000028 0.000000000 0.000000000 19566334 3906432142
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.3 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0651843587 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.16 TOTAL CPU TIME= 20650.5 ( 344.2 MIN)
TOTAL WALL CLOCK TIME= 3640.1 SECONDS, CPU UTILIZATION IS 567.30%
RHF RI MP2 ENERGY
ESCF= -4559.0651843587
E(2)= -7.6682061826
E(MP2)= -4566.7333905412
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.093832 3.449950 -8.081844 8.787898
iFrag= 83 jFrag= 10 EFMOc= -4566.733390541
iFrag= 83 jFrag= 10 EFMOu= -4559.065184359 Tr= 0.000292072
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001223101
--------------------------------------
FINAL EFP ENERGY = -0.0001223101
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-4.770428 0.085482 6.856826 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.608389 9.945960 -0.438348 11.426649
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.095126 7.247145 -8.360755 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.743978 -1.969915 -20.319995 20.598839
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.932777 3.666313 -0.751965 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.352367 7.976046 -20.758343 23.754750
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 84 58 corr= MP2 , LL1= 780 ID= 3460
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 84 58 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0447807965 -4559.0447807965 0.022842615 0.000000000 0.000000000 1.000000000 24423698 3905355840
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0454463843 -0.0006655878 0.004613256 0.001079225 0.000000000 0.000000000 23177480 3905902559
3 2 0 -4559.0454866759 -0.0000402916 0.001605628 0.000284647 0.000000000 0.000000000 22469859 3906022696
4 3 0 -4559.0454902288 -0.0000035529 0.000195059 0.000153137 0.000000000 0.000000000 22107835 3906072526
5 4 0 -4559.0454906743 -0.0000004455 0.000113079 0.000031908 0.000000000 0.000000000 21283800 3906175923
6 5 0 -4559.0454907106 -0.0000000364 0.000030350 0.000009275 0.000000000 0.000000000 20542675 3906274101
7 6 0 -4559.0454907152 -0.0000000046 0.000003455 0.000001929 0.000000000 0.000000000 20099950 3906320528
8 7 0 -4559.0454907154 -0.0000000001 0.000001639 0.000000646 0.000000000 0.000000000 18949027 3906436437
9 8 0 -4559.0454907154 -0.0000000000 0.000000257 0.000000102 0.000000000 0.000000000 18633400 3906469630
10 9 0 -4559.0454907154 -0.0000000000 0.000000097 0.000000069 0.000000000 0.000000000 17452024 3906570264
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.5 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0454907154 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 556.11 TOTAL CPU TIME= 21206.6 ( 353.4 MIN)
TOTAL WALL CLOCK TIME= 3738.5 SECONDS, CPU UTILIZATION IS 567.25%
RHF RI MP2 ENERGY
ESCF= -4559.0454907154
E(2)= -7.6638437649
E(MP2)= -4566.7093344803
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.345464 7.982872 -20.749249 23.746671
iFrag= 84 jFrag= 58 EFMOc= -4566.709334480
iFrag= 84 jFrag= 58 EFMOu= -4559.045490715 Tr= 0.000122310
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002746904
--------------------------------------
FINAL EFP ENERGY = -0.0002746904
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
4.784115 -8.764452 10.131358 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.040758 -3.708022 -6.093549 7.419263
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.131578 -5.314389 1.888818 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.190291 6.823021 -17.178544 19.833211
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.457847 -7.039420 6.010088 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.231049 3.114999 -23.272093 25.229066
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 86 17 corr= MP2 , LL1= 780 ID= 3586
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 86 17 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0650677901 -4559.0650677901 0.046418540 0.000000000 0.000000000 1.000000000 24425022 3905455599
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0445435582 0.0205242319 0.012062079 0.004449044 0.000000000 0.000000000 23567847 3905910655
3 2 0 -4559.0449213685 -0.0003778103 0.006126326 0.001541578 0.000000000 0.000000000 23063289 3906008299
4 3 0 -4559.0449753474 -0.0000539789 0.000935579 0.000569439 0.000000000 0.000000000 22851955 3906041431
5 4 0 -4559.0449810011 -0.0000056537 0.000336704 0.000099216 0.000000000 0.000000000 22196582 3906124303
6 5 0 -4559.0449814099 -0.0000004088 0.000118802 0.000032059 0.000000000 0.000000000 21708322 3906188067
7 6 0 -4559.0449814532 -0.0000000433 0.000019803 0.000010578 0.000000000 0.000000000 21261433 3906243826
8 7 0 -4559.0449814549 -0.0000000017 0.000008382 0.000004129 0.000000000 0.000000000 20480386 3906314502
9 8 0 -4559.0449814553 -0.0000000004 0.000001764 0.000000630 0.000000000 0.000000000 20138972 3906349941
10 9 0 -4559.0449814553 -0.0000000000 0.000000486 0.000000120 0.000000000 0.000000000 19517435 3906412520
11 10 0 -4559.0449814553 0.0000000000 0.000000113 0.000000050 0.000000000 0.000000000 19127751 3906454941
12 11 0 -4559.0449814553 0.0000000000 0.000000030 0.000000012 0.000000000 0.000000000 18542422 3906516629
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0449814553 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.03 TOTAL CPU TIME= 21774.6 ( 362.9 MIN)
TOTAL WALL CLOCK TIME= 3838.8 SECONDS, CPU UTILIZATION IS 567.22%
RHF RI MP2 ENERGY
ESCF= -4559.0449814553
E(2)= -7.6672799426
E(MP2)= -4566.7122613979
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.992168 3.352820 -23.254073 25.156558
iFrag= 86 jFrag= 17 EFMOc= -4566.712261398
iFrag= 86 jFrag= 17 EFMOu= -4559.044981455 Tr= 0.000274690
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004113951
--------------------------------------
FINAL EFP ENERGY = -0.0004113951
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
4.244807 7.791423 -7.922690 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.120386 7.550323 3.153117 10.846632
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.130889 5.029252 0.989946 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.260967 -5.724751 -5.318121 12.897388
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.056959 6.410338 -3.466372 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.381353 1.825572 -2.165003 17.610547
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 87 65 corr= MP2 , LL1= 780 ID= 3719
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 87 65 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0780155143 -4559.0780155143 0.103916075 0.000000000 0.000000000 1.000000000 25596978 3905240918
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0196552806 0.0583602337 0.012147022 0.007281714 0.000000000 0.000000000 24416747 3905784516
3 2 0 -4559.0200492366 -0.0003939560 0.005441649 0.001822330 0.000000000 0.000000000 23736538 3905908509
4 3 0 -4559.0200937532 -0.0000445166 0.000966116 0.000727768 0.000000000 0.000000000 23417974 3905955860
5 4 0 -4559.0200985451 -0.0000047919 0.000201711 0.000086827 0.000000000 0.000000000 22551448 3906068800
6 5 0 -4559.0200987772 -0.0000002320 0.000100499 0.000034014 0.000000000 0.000000000 22162387 3906125847
7 6 0 -4559.0200988133 -0.0000000362 0.000010711 0.000010613 0.000000000 0.000000000 21785914 3906179798
8 7 0 -4559.0200988144 -0.0000000011 0.000004659 0.000002165 0.000000000 0.000000000 20879561 3906284905
9 8 0 -4559.0200988145 -0.0000000001 0.000001106 0.000000829 0.000000000 0.000000000 20464366 3906326108
10 9 0 -4559.0200988145 -0.0000000000 0.000000467 0.000000319 0.000000000 0.000000000 19664415 3906393448
11 10 0 -4559.0200988145 -0.0000000000 0.000000267 0.000000053 0.000000000 0.000000000 19054030 3906453846
12 11 0 -4559.0200988145 -0.0000000000 0.000000024 0.000000019 0.000000000 0.000000000 18691769 3906498727
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0200988145 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.96 TOTAL CPU TIME= 22342.6 ( 372.4 MIN)
TOTAL WALL CLOCK TIME= 3939.1 SECONDS, CPU UTILIZATION IS 567.19%
RHF RI MP2 ENERGY
ESCF= -4559.0200988145
E(2)= -7.6690871461
E(MP2)= -4566.6891859606
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.447939 1.860574 -2.169008 17.680410
iFrag= 87 jFrag= 65 EFMOc= -4566.689185961
iFrag= 87 jFrag= 65 EFMOu= -4559.020098815 Tr= 0.000411395
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002802485
--------------------------------------
FINAL EFP ENERGY = -0.0002802485
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
11.817661 1.732953 -3.808632 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.170733 2.140878 7.026978 11.750069
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.389590 8.855373 2.360236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.860801 -6.498584 -3.615208 8.378968
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
8.103626 5.294163 -0.724198 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.309932 -4.357706 3.411770 7.669756
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 89 21 corr= MP2 , LL1= 780 ID= 3848
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 89 21 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0592060767 -4559.0592060767 0.050693172 0.000000000 0.000000000 1.000000000 23357818 3905537784
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0558178078 0.0033882690 0.011376976 0.003395181 0.000000000 0.000000000 22620449 3905984979
3 2 0 -4559.0561861988 -0.0003683910 0.005403802 0.001325024 0.000000000 0.000000000 22059439 3906090425
4 3 0 -4559.0562289248 -0.0000427261 0.000890041 0.000775167 0.000000000 0.000000000 21774418 3906131721
5 4 0 -4559.0562328477 -0.0000039229 0.000280351 0.000104063 0.000000000 0.000000000 21010252 3906226015
6 5 0 -4559.0562331653 -0.0000003176 0.000104166 0.000026669 0.000000000 0.000000000 20442262 3906305298
7 6 0 -4559.0562332003 -0.0000000350 0.000021388 0.000008546 0.000000000 0.000000000 20049992 3906352318
8 7 0 -4559.0562332019 -0.0000000015 0.000009527 0.000002897 0.000000000 0.000000000 19155433 3906450222
9 8 0 -4559.0562332021 -0.0000000003 0.000001985 0.000001140 0.000000000 0.000000000 18860113 3906477545
10 9 0 -4559.0562332022 -0.0000000001 0.000000522 0.000000209 0.000000000 0.000000000 18203627 3906534835
11 10 0 -4559.0562332021 0.0000000001 0.000000171 0.000000050 0.000000000 0.000000000 17713412 3906577710
12 11 0 -4559.0562332022 -0.0000000000 0.000000029 0.000000010 0.000000000 0.000000000 17364891 3906610745
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0562332022 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.44 TOTAL CPU TIME= 22910.0 ( 381.8 MIN)
TOTAL WALL CLOCK TIME= 4039.4 SECONDS, CPU UTILIZATION IS 567.17%
RHF RI MP2 ENERGY
ESCF= -4559.0562332022
E(2)= -7.6661896245
E(MP2)= -4566.7224228266
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.419096 -4.255660 3.632058 7.789036
iFrag= 89 jFrag= 21 EFMOc= -4566.722422827
iFrag= 89 jFrag= 21 EFMOu= -4559.056233202 Tr= 0.000280249
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001154972
--------------------------------------
FINAL EFP ENERGY = -0.0001154972
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.445846 2.095017 -1.260064 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.900176 -1.959397 15.502542 19.052083
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
10.589497 6.804542 -3.721222 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.625388 -2.968478 8.018966 12.874928
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.571825 4.449780 -2.490643 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.274789 -4.927876 23.521508 24.065959
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 90 62 corr= MP2 , LL1= 780 ID= 3977
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 90 62 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0164578792 -4559.0164578792 0.021629460 0.000000000 0.000000000 1.000000000 31600582 3904697243
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0169981148 -0.0005402356 0.004528735 0.001407318 0.000000000 0.000000000 29856805 3905357287
3 2 0 -4559.0170364297 -0.0000383149 0.001640137 0.000403363 0.000000000 0.000000000 28800127 3905512177
4 3 0 -4559.0170400284 -0.0000035987 0.000182731 0.000127565 0.000000000 0.000000000 28284277 3905578518
5 4 0 -4559.0170404018 -0.0000003735 0.000110527 0.000030583 0.000000000 0.000000000 27093061 3905716155
6 5 0 -4559.0170404366 -0.0000000347 0.000038376 0.000009532 0.000000000 0.000000000 26109721 3905850076
7 6 0 -4559.0170404406 -0.0000000041 0.000004451 0.000001584 0.000000000 0.000000000 25470056 3905904450
8 7 0 -4559.0170404408 -0.0000000001 0.000002555 0.000000769 0.000000000 0.000000000 23777704 3906088108
9 8 0 -4559.0170404408 -0.0000000001 0.000000383 0.000000128 0.000000000 0.000000000 23235768 3906142244
10 9 0 -4559.0170404408 0.0000000000 0.000000113 0.000000080 0.000000000 0.000000000 21660805 3906285736
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 52.3 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0170404408 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 557.59 TOTAL CPU TIME= 23467.6 ( 391.1 MIN)
TOTAL WALL CLOCK TIME= 4137.8 SECONDS, CPU UTILIZATION IS 567.16%
RHF RI MP2 ENERGY
ESCF= -4559.0170404408
E(2)= -7.6663906200
E(MP2)= -4566.6834310608
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.280102 -4.919339 23.526693 24.069563
iFrag= 90 jFrag= 62 EFMOc= -4566.683431061
iFrag= 90 jFrag= 62 EFMOu= -4559.017040441 Tr= 0.000115497
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007470991
--------------------------------------
FINAL EFP ENERGY = -0.0007470991
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.621198 0.989815 0.169777 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.646528 1.538260 3.357072 6.746810
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.197283 -5.146932 -7.080985 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.713721 8.963923 -3.715652 11.799663
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.409241 -2.078558 -3.455604 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.360249 10.502183 -0.358580 16.223445
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 69 36 corr= MP2 , LL1= 780 ID= 4104
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 69 36 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0629745053 -4559.0629745053 0.082176402 0.000000000 0.000000000 1.000000000 27009647 3905268486
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9903050571 0.0726694481 0.014863815 0.004500403 0.000000000 0.000000000 26155284 3905699227
3 2 0 -4558.9909039584 -0.0005989013 0.004995201 0.001499390 0.000000000 0.000000000 25627533 3905797069
4 3 0 -4558.9909767692 -0.0000728108 0.000961691 0.000417842 0.000000000 0.000000000 25389968 3905833178
5 4 0 -4558.9909819104 -0.0000051413 0.000402633 0.000159275 0.000000000 0.000000000 24664530 3905914347
6 5 0 -4558.9909828204 -0.0000009099 0.000249676 0.000045870 0.000000000 0.000000000 24175949 3905982523
7 6 0 -4558.9909829082 -0.0000000879 0.000045326 0.000011118 0.000000000 0.000000000 23708299 3906039700
8 7 0 -4558.9909829114 -0.0000000032 0.000015744 0.000004342 0.000000000 0.000000000 22764901 3906127578
9 8 0 -4558.9909829118 -0.0000000004 0.000002455 0.000001312 0.000000000 0.000000000 22377244 3906164319
10 9 0 -4558.9909829119 -0.0000000000 0.000000741 0.000000245 0.000000000 0.000000000 21618948 3906249342
11 10 0 -4558.9909829119 -0.0000000000 0.000000321 0.000000091 0.000000000 0.000000000 20935890 3906311698
12 11 0 -4558.9909829119 0.0000000000 0.000000033 0.000000018 0.000000000 0.000000000 20452017 3906363130
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.5 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -4558.9909829119 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.20 TOTAL CPU TIME= 24035.8 ( 400.6 MIN)
TOTAL WALL CLOCK TIME= 4238.1 SECONDS, CPU UTILIZATION IS 567.14%
RHF RI MP2 ENERGY
ESCF= -4558.9909829119
E(2)= -7.6678910804
E(MP2)= -4566.6588739922
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.317909 10.564342 -0.506377 16.235535
iFrag= 69 jFrag= 36 EFMOc= -4566.658873992
iFrag= 69 jFrag= 36 EFMOu= -4558.990982912 Tr= 0.000747099
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003974429
--------------------------------------
FINAL EFP ENERGY = -0.0003974429
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
2.105441 2.081255 3.046020 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.299946 9.700400 7.944721 14.508810
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.177364 4.303952 -0.441470 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.279895 -10.643357 6.290127 14.347251
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.141402 3.192603 1.302275 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.579842 -0.942957 14.234848 20.398330
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 48 44 corr= MP2 , LL1= 780 ID= 4234
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 48 44 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0872852656 -4559.0872852656 0.064330559 0.000000000 0.000000000 1.000000000 25876106 3905250790
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0320979129 0.0551873527 0.011257805 0.005279728 0.000000000 0.000000000 24687281 3905817288
3 2 0 -4559.0324337273 -0.0003358144 0.004758005 0.001918369 0.000000000 0.000000000 24074979 3905928003
4 3 0 -4559.0324768993 -0.0000431721 0.001264893 0.000417463 0.000000000 0.000000000 23744665 3905970050
5 4 0 -4559.0324811424 -0.0000042430 0.000426422 0.000156958 0.000000000 0.000000000 23058388 3906057225
6 5 0 -4559.0324816349 -0.0000004925 0.000154142 0.000041434 0.000000000 0.000000000 22439187 3906142070
7 6 0 -4559.0324816813 -0.0000000464 0.000020567 0.000005966 0.000000000 0.000000000 21896352 3906210166
8 7 0 -4559.0324816824 -0.0000000011 0.000007306 0.000002623 0.000000000 0.000000000 21068211 3906285647
9 8 0 -4559.0324816826 -0.0000000002 0.000001278 0.000000865 0.000000000 0.000000000 20770145 3906312992
10 9 0 -4559.0324816826 0.0000000000 0.000000540 0.000000171 0.000000000 0.000000000 19921943 3906393116
11 10 0 -4559.0324816826 -0.0000000000 0.000000158 0.000000030 0.000000000 0.000000000 19408759 3906441256
12 11 0 -4559.0324816826 0.0000000000 0.000000039 0.000000014 0.000000000 0.000000000 18727548 3906517044
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0324816826 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.48 TOTAL CPU TIME= 24603.3 ( 410.1 MIN)
TOTAL WALL CLOCK TIME= 4338.4 SECONDS, CPU UTILIZATION IS 567.10%
RHF RI MP2 ENERGY
ESCF= -4559.0324816826
E(2)= -7.6695390833
E(MP2)= -4566.7020207659
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.508655 -0.856986 14.158239 20.290175
iFrag= 48 jFrag= 44 EFMOc= -4566.702020766
iFrag= 48 jFrag= 44 EFMOu= -4559.032481683 Tr= 0.000397443
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002737622
--------------------------------------
FINAL EFP ENERGY = -0.0002737622
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
9.074503 -5.744034 -0.086006 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.203919 8.526519 -6.581560 17.040010
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.308744 4.843723 -9.490749 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.703321 -12.617536 -5.018599 15.143416
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.191624 -0.450156 -4.788377 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.500598 -4.091017 -11.600159 13.912508
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 67 40 corr= MP2 , LL1= 780 ID= 4364
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 67 40 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0325947486 -4559.0325947486 0.047218297 0.000000000 0.000000000 1.000000000 25065422 3905420082
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0155397813 0.0170549672 0.014039024 0.003429275 0.000000000 0.000000000 24202267 3905857588
3 2 0 -4559.0159463436 -0.0004065623 0.006685707 0.001215691 0.000000000 0.000000000 23544673 3905973533
4 3 0 -4559.0159996777 -0.0000533341 0.001080370 0.000487567 0.000000000 0.000000000 23221019 3906018418
5 4 0 -4559.0160036332 -0.0000039555 0.000340404 0.000147053 0.000000000 0.000000000 22455386 3906117114
6 5 0 -4559.0160041000 -0.0000004668 0.000086838 0.000031231 0.000000000 0.000000000 21796305 3906197983
7 6 0 -4559.0160041433 -0.0000000434 0.000023350 0.000007274 0.000000000 0.000000000 21157862 3906261791
8 7 0 -4559.0160041453 -0.0000000019 0.000008494 0.000003811 0.000000000 0.000000000 20320067 3906340554
9 8 0 -4559.0160041455 -0.0000000003 0.000001884 0.000001239 0.000000000 0.000000000 19936366 3906382215
10 9 0 -4559.0160041456 -0.0000000001 0.000000389 0.000000152 0.000000000 0.000000000 19266346 3906446245
11 10 0 -4559.0160041456 0.0000000000 0.000000135 0.000000044 0.000000000 0.000000000 18727581 3906491834
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0160041456 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.85 TOTAL CPU TIME= 25165.2 ( 419.4 MIN)
TOTAL WALL CLOCK TIME= 4437.8 SECONDS, CPU UTILIZATION IS 567.06%
RHF RI MP2 ENERGY
ESCF= -4559.0160041456
E(2)= -7.6690273944
E(MP2)= -4566.6850315399
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.352833 -4.135749 -11.666742 13.913152
iFrag= 67 jFrag= 40 EFMOc= -4566.685031540
iFrag= 67 jFrag= 40 EFMOu= -4559.016004146 Tr= 0.000273762
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005517635
--------------------------------------
FINAL EFP ENERGY = -0.0005517635
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.088995 4.423931 0.046680 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.417265 14.372560 -11.545526 18.957370
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.046706 6.746798 -0.013668 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.305383 -0.620287 -6.943805 7.342750
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.067850 5.585365 0.016506 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.111881 13.752273 -18.489331 23.139585
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 96 27 corr= MP2 , LL1= 780 ID= 4491
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 96 27 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0983265675 -4559.0983265675 0.082365598 0.000000000 0.000000000 1.000000000 27729550 3905288362
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9902631712 0.1080633962 0.011251595 0.005053480 0.000000000 0.000000000 27273131 3905630423
3 2 0 -4558.9909162393 -0.0006530681 0.005131113 0.001557922 0.000000000 0.000000000 26829896 3905711683
4 3 0 -4558.9910021049 -0.0000858656 0.001103716 0.000740529 0.000000000 0.000000000 26618097 3905741933
5 4 0 -4558.9910102370 -0.0000081321 0.000351321 0.000165327 0.000000000 0.000000000 26099673 3905808097
6 5 0 -4558.9910111706 -0.0000009336 0.000252393 0.000044230 0.000000000 0.000000000 25615051 3905867819
7 6 0 -4558.9910112733 -0.0000001027 0.000036330 0.000008482 0.000000000 0.000000000 25049255 3905927380
8 7 0 -4558.9910112767 -0.0000000034 0.000012028 0.000002721 0.000000000 0.000000000 24320308 3906006432
9 8 0 -4558.9910112771 -0.0000000004 0.000001717 0.000000908 0.000000000 0.000000000 24029051 3906039592
10 9 0 -4558.9910112771 -0.0000000000 0.000000695 0.000000389 0.000000000 0.000000000 23007868 3906133544
11 10 0 -4558.9910112772 -0.0000000000 0.000000171 0.000000055 0.000000000 0.000000000 22536235 3906194851
12 11 0 -4558.9910112772 0.0000000000 0.000000062 0.000000015 0.000000000 0.000000000 21740584 3906271592
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.5 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9910112772 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.29 TOTAL CPU TIME= 25732.4 ( 428.9 MIN)
TOTAL WALL CLOCK TIME= 4538.3 SECONDS, CPU UTILIZATION IS 567.01%
RHF RI MP2 ENERGY
ESCF= -4558.9910112772
E(2)= -7.6700894836
E(MP2)= -4566.6611007608
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.950227 13.569031 -18.354141 22.908437
iFrag= 96 jFrag= 27 EFMOc= -4566.661100761
iFrag= 96 jFrag= 27 EFMOu= -4558.991011277 Tr= 0.000551764
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002798533
--------------------------------------
FINAL EFP ENERGY = -0.0002798533
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-2.153410 3.002240 2.231531 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.440949 -0.139612 -7.090375 19.757568
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.749846 3.382504 -4.425236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.836145 -2.282042 -15.130588 17.191498
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.701782 3.192372 -1.096853 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.604804 -2.421654 -22.220964 24.740604
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 97 61 corr= MP2 , LL1= 780 ID= 4620
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 97 61 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0886930958 -4559.0886930958 0.057569478 0.000000000 0.000000000 1.000000000 22858720 3905429303
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0465778268 0.0421152690 0.008241167 0.002813709 0.000000000 0.000000000 21534987 3906059453
3 2 0 -4559.0468533023 -0.0002754755 0.003357832 0.001176619 0.000000000 0.000000000 20790823 3906184128
4 3 0 -4559.0468848410 -0.0000315387 0.000926178 0.000423554 0.000000000 0.000000000 20463399 3906228885
5 4 0 -4559.0468877463 -0.0000029053 0.000231713 0.000102899 0.000000000 0.000000000 19750092 3906320965
6 5 0 -4559.0468880411 -0.0000002948 0.000135617 0.000029278 0.000000000 0.000000000 19256223 3906396405
7 6 0 -4559.0468880796 -0.0000000385 0.000015416 0.000005894 0.000000000 0.000000000 18885478 3906439032
8 7 0 -4559.0468880808 -0.0000000012 0.000005898 0.000002415 0.000000000 0.000000000 18119348 3906513787
9 8 0 -4559.0468880809 -0.0000000002 0.000001664 0.000000789 0.000000000 0.000000000 17848099 3906539918
10 9 0 -4559.0468880809 0.0000000000 0.000000397 0.000000290 0.000000000 0.000000000 17243215 3906599318
11 10 0 -4559.0468880810 -0.0000000000 0.000000178 0.000000052 0.000000000 0.000000000 16941041 3906628844
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -4559.0468880810 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.55 TOTAL CPU TIME= 26295.0 ( 438.2 MIN)
TOTAL WALL CLOCK TIME= 4637.7 SECONDS, CPU UTILIZATION IS 566.99%
RHF RI MP2 ENERGY
ESCF= -4559.0468880810
E(2)= -7.6645686330
E(MP2)= -4566.7114567140
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.599909 -2.374609 -22.212098 24.725981
iFrag= 97 jFrag= 61 EFMOc= -4566.711456714
iFrag= 97 jFrag= 61 EFMOu= -4559.046888081 Tr= 0.000279853
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005894608
--------------------------------------
FINAL EFP ENERGY = -0.0005894608
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-8.724544 0.652670 5.449038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.608636 0.394540 -0.117616 0.734801
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.367530 -6.267035 2.634233 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.315009 -2.480343 -17.854251 18.328002
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.678507 -2.807182 4.041635 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.923645 -2.085803 -17.971868 18.513065
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 98 94 corr= MP2 , LL1= 780 ID= 4749
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 98 94 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0680115337 -4559.0680115337 0.061885685 0.000000000 0.000000000 1.000000000 27463623 3905250183
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0199788768 0.0480326568 0.011188986 0.004599472 0.000000000 0.000000000 27022035 3905586897
3 2 0 -4559.0206309813 -0.0006521044 0.005614258 0.001627799 0.000000000 0.000000000 26518288 3905685941
4 3 0 -4559.0207255633 -0.0000945820 0.001141712 0.000594992 0.000000000 0.000000000 26276277 3905723893
5 4 0 -4559.0207345422 -0.0000089788 0.000274460 0.000100051 0.000000000 0.000000000 25620879 3905811652
6 5 0 -4559.0207350153 -0.0000004732 0.000130615 0.000026778 0.000000000 0.000000000 25004696 3905899362
7 6 0 -4559.0207350693 -0.0000000540 0.000022999 0.000008735 0.000000000 0.000000000 24312186 3905976664
8 7 0 -4559.0207350717 -0.0000000024 0.000007106 0.000004659 0.000000000 0.000000000 23556237 3906051608
9 8 0 -4559.0207350723 -0.0000000005 0.000002025 0.000000731 0.000000000 0.000000000 22914096 3906122554
10 9 0 -4559.0207350723 -0.0000000000 0.000000411 0.000000124 0.000000000 0.000000000 21897339 3906208696
11 10 0 -4559.0207350723 -0.0000000000 0.000000162 0.000000055 0.000000000 0.000000000 21257844 3906271452
12 11 0 -4559.0207350723 -0.0000000000 0.000000031 0.000000016 0.000000000 0.000000000 20663550 3906345203
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0207350723 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.49 TOTAL CPU TIME= 26863.5 ( 447.7 MIN)
TOTAL WALL CLOCK TIME= 4738.0 SECONDS, CPU UTILIZATION IS 566.98%
RHF RI MP2 ENERGY
ESCF= -4559.0207350723
E(2)= -7.6697286738
E(MP2)= -4566.6904637461
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.119358 -1.881499 -17.815141 18.381741
iFrag= 98 jFrag= 94 EFMOc= -4566.690463746
iFrag= 98 jFrag= 94 EFMOu= -4559.020735072 Tr= 0.000589461
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005338044
--------------------------------------
FINAL EFP ENERGY = -0.0005338044
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
6.383819 -6.190859 -0.270149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.240577 -4.731121 -12.197271 14.494887
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.634148 -4.428350 1.441665 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.056133 -12.089398 4.347115 15.718286
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.125164 -5.309604 0.585758 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.296711 -16.820519 -7.850157 24.052945
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 100 30 corr= MP2 , LL1= 780 ID= 4880
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 100 30 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0658666700 -4559.0658666700 0.063188799 0.000000000 0.000000000 1.000000000 23985577 3905588397
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0491566016 0.0167100684 0.009550367 0.002725118 0.000000000 0.000000000 23494456 3905919960
3 2 0 -4559.0494373389 -0.0002807373 0.006842493 0.001134634 0.000000000 0.000000000 23099121 3906004559
4 3 0 -4559.0494804044 -0.0000430656 0.001004465 0.000617071 0.000000000 0.000000000 22916442 3906035031
5 4 0 -4559.0494848583 -0.0000044539 0.000262215 0.000109497 0.000000000 0.000000000 22378555 3906112622
6 5 0 -4559.0494851890 -0.0000003307 0.000128483 0.000038250 0.000000000 0.000000000 21855991 3906178525
7 6 0 -4559.0494852206 -0.0000000316 0.000018838 0.000006974 0.000000000 0.000000000 20999025 3906267882
8 7 0 -4559.0494852219 -0.0000000013 0.000008797 0.000003104 0.000000000 0.000000000 20281938 3906330482
9 8 0 -4559.0494852221 -0.0000000003 0.000001466 0.000000643 0.000000000 0.000000000 19913221 3906369059
10 9 0 -4559.0494852221 0.0000000000 0.000000419 0.000000122 0.000000000 0.000000000 19104571 3906445057
11 10 0 -4559.0494852221 0.0000000000 0.000000149 0.000000048 0.000000000 0.000000000 18591300 3906498594
12 11 0 -4559.0494852221 -0.0000000000 0.000000000 0.000000009 0.000000000 0.000000000 17792562 3906573042
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.7 SECONDS ( 4.7 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -4559.0494852221 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.44 TOTAL CPU TIME= 27430.9 ( 457.2 MIN)
TOTAL WALL CLOCK TIME= 4838.2 SECONDS, CPU UTILIZATION IS 566.97%
RHF RI MP2 ENERGY
ESCF= -4559.0494852221
E(2)= -7.6652420704
E(MP2)= -4566.7147272925
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.299527 -16.880101 -7.878875 24.105809
iFrag= 100 jFrag= 30 EFMOc= -4566.714727293
iFrag= 100 jFrag= 30 EFMOu= -4559.049485222 Tr= 0.000533804
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002610082
--------------------------------------
FINAL EFP ENERGY = -0.0002610082
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.150544 -1.454896 2.087464 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.833042 -3.470940 -12.018393 12.826352
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.749846 3.382504 -4.425236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.765824 -2.295296 -15.162125 17.189138
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.950195 0.963804 -1.168886 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.932782 -5.766236 -27.180518 28.219893
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 101 61 corr= MP2 , LL1= 780 ID= 5010
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 101 61 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0456136024 -4559.0456136024 0.057170223 0.000000000 0.000000000 1.000000000 25609025 3905212931
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0466992860 -0.0010856836 0.012578972 0.004475008 0.000000000 0.000000000 24638210 3905736345
3 2 0 -4559.0470100950 -0.0003108089 0.005052869 0.001414922 0.000000000 0.000000000 23880096 3905869596
4 3 0 -4559.0470421268 -0.0000320318 0.000529959 0.000359200 0.000000000 0.000000000 23483109 3905928976
5 4 0 -4559.0470445364 -0.0000024096 0.000281215 0.000101970 0.000000000 0.000000000 22549805 3906044583
6 5 0 -4559.0470447967 -0.0000002603 0.000064567 0.000026392 0.000000000 0.000000000 21767994 3906159824
7 6 0 -4559.0470448175 -0.0000000209 0.000011580 0.000003557 0.000000000 0.000000000 21210176 3906220069
8 7 0 -4559.0470448184 -0.0000000009 0.000004500 0.000002079 0.000000000 0.000000000 20192420 3906326273
9 8 0 -4559.0470448185 -0.0000000001 0.000001775 0.000001092 0.000000000 0.000000000 19666653 3906384718
10 9 0 -4559.0470448185 0.0000000000 0.000000288 0.000000215 0.000000000 0.000000000 18749047 3906463934
11 10 0 -4559.0470448185 -0.0000000000 0.000000078 0.000000034 0.000000000 0.000000000 18092516 3906515536
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0470448185 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.10 TOTAL CPU TIME= 27993.0 ( 466.6 MIN)
TOTAL WALL CLOCK TIME= 4937.3 SECONDS, CPU UTILIZATION IS 566.97%
RHF RI MP2 ENERGY
ESCF= -4559.0470448185
E(2)= -7.6664592307
E(MP2)= -4566.7135040493
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.767242 -5.708810 -27.167832 28.167503
iFrag= 101 jFrag= 61 EFMOc= -4566.713504049
iFrag= 101 jFrag= 61 EFMOu= -4559.047044819 Tr= 0.000261008
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002011706
--------------------------------------
FINAL EFP ENERGY = -0.0002011706
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.223932 2.507197 3.773578 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.280396 -4.008874 2.338436 10.376180
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
11.817661 1.732953 -3.808632 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.086956 2.242447 7.009596 11.693407
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.296865 2.120075 -0.017527 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.367352 -1.766427 9.348032 20.684912
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 102 89 corr= MP2 , LL1= 780 ID= 5138
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 102 89 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0593893153 -4559.0593893153 0.040565009 0.000000000 0.000000000 1.000000000 25491916 3905325925
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0583360251 0.0010532902 0.011700334 0.003652622 0.000000000 0.000000000 24387016 3905844113
3 2 0 -4559.0585188151 -0.0001827900 0.006075509 0.001306447 0.000000000 0.000000000 23728771 3905951643
4 3 0 -4559.0585446369 -0.0000258218 0.000785567 0.000556220 0.000000000 0.000000000 23431152 3905990443
5 4 0 -4559.0585468870 -0.0000022501 0.000258886 0.000091275 0.000000000 0.000000000 22576064 3906086002
6 5 0 -4559.0585470045 -0.0000001175 0.000060945 0.000020859 0.000000000 0.000000000 21680988 3906202672
7 6 0 -4559.0585470151 -0.0000000106 0.000012024 0.000005587 0.000000000 0.000000000 21202149 3906263753
8 7 0 -4559.0585470156 -0.0000000005 0.000006106 0.000002157 0.000000000 0.000000000 20311343 3906357322
9 8 0 -4559.0585470157 -0.0000000001 0.000001213 0.000000840 0.000000000 0.000000000 19826219 3906406216
10 9 0 -4559.0585470157 0.0000000000 0.000000266 0.000000148 0.000000000 0.000000000 18426843 3906514492
11 10 0 -4559.0585470157 -0.0000000000 0.000000106 0.000000045 0.000000000 0.000000000 18057999 3906556867
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0585470157 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.81 TOTAL CPU TIME= 28554.8 ( 475.9 MIN)
TOTAL WALL CLOCK TIME= 5036.6 SECONDS, CPU UTILIZATION IS 566.94%
RHF RI MP2 ENERGY
ESCF= -4559.0585470157
E(2)= -7.6654564889
E(MP2)= -4566.7240035046
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.509498 -1.644338 9.336075 20.795857
iFrag= 102 jFrag= 89 EFMOc= -4566.724003505
iFrag= 102 jFrag= 89 EFMOu= -4559.058547016 Tr= 0.000201171
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0008875492
--------------------------------------
FINAL EFP ENERGY = -0.0008875492
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
4.849302 -0.781016 7.940513 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.240447 -1.426829 -9.466616 10.913980
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.723119 -5.575458 8.359485 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.750547 3.554330 -15.262474 22.218373
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.563092 -3.178237 8.149999 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.510100 2.127500 -24.729090 26.953967
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 104 14 corr= MP2 , LL1= 780 ID= 5266
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 104 14 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1742238753 -4559.1742238753 0.088387144 0.000000000 0.000000000 1.000000000 27969035 3905168080
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0403122217 0.1339116535 0.008614538 0.004007604 0.000000000 0.000000000 27722312 3905536166
3 2 0 -4559.0412509056 -0.0009386839 0.005920865 0.001535391 0.000000000 0.000000000 27182094 3905639317
4 3 0 -4559.0413846618 -0.0001337561 0.001155894 0.000605354 0.000000000 0.000000000 26896324 3905682080
5 4 0 -4559.0413986449 -0.0000139831 0.000254557 0.000160710 0.000000000 0.000000000 26174455 3905770852
6 5 0 -4559.0413997094 -0.0000010646 0.000171984 0.000054647 0.000000000 0.000000000 25587986 3905843668
7 6 0 -4559.0413998317 -0.0000001223 0.000023302 0.000009602 0.000000000 0.000000000 24931162 3905917096
8 7 0 -4559.0413998359 -0.0000000042 0.000010398 0.000004822 0.000000000 0.000000000 24171435 3905987205
9 8 0 -4559.0413998366 -0.0000000007 0.000001870 0.000001259 0.000000000 0.000000000 23832480 3906028855
10 9 0 -4559.0413998366 -0.0000000000 0.000000563 0.000000311 0.000000000 0.000000000 23057310 3906118108
11 10 0 -4559.0413998367 -0.0000000000 0.000000209 0.000000057 0.000000000 0.000000000 22542526 3906183246
12 11 0 -4559.0413998367 -0.0000000000 0.000000043 0.000000019 0.000000000 0.000000000 21532192 3906284464
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.3 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0413998367 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.79 TOTAL CPU TIME= 29122.6 ( 485.4 MIN)
TOTAL WALL CLOCK TIME= 5136.9 SECONDS, CPU UTILIZATION IS 566.93%
RHF RI MP2 ENERGY
ESCF= -4559.0413998367
E(2)= -7.6685958415
E(MP2)= -4566.7099956782
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.635906 2.150307 -24.487336 26.783874
iFrag= 104 jFrag= 14 EFMOc= -4566.709995678
iFrag= 104 jFrag= 14 EFMOu= -4559.041399837 Tr= 0.000887549
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003210201
--------------------------------------
FINAL EFP ENERGY = -0.0003210201
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.520096 -0.307993 4.028574 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.856480 9.981091 0.178417 10.019360
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.308744 4.843723 -9.490749 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.616124 -12.660536 -5.112161 15.172227
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.414420 2.267865 -2.731087 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.472605 -2.679445 -4.933743 9.346715
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 105 40 corr= MP2 , LL1= 780 ID= 5395
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 105 40 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0000144177 -4559.0000144177 0.056542251 0.000000000 0.000000000 1.000000000 27926969 3905055657
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9910378196 0.0089765981 0.012855145 0.002728809 0.000000000 0.000000000 27108590 3905537798
3 2 0 -4558.9912668147 -0.0002289951 0.005227223 0.000778007 0.000000000 0.000000000 26382680 3905676968
4 3 0 -4558.9912914959 -0.0000246812 0.000569596 0.000262497 0.000000000 0.000000000 25930622 3905738761
5 4 0 -4558.9912934447 -0.0000019488 0.000302757 0.000076849 0.000000000 0.000000000 24996669 3905853454
6 5 0 -4558.9912937279 -0.0000002832 0.000131807 0.000020606 0.000000000 0.000000000 24197981 3905959696
7 6 0 -4558.9912937603 -0.0000000324 0.000016608 0.000004990 0.000000000 0.000000000 23600630 3906030170
8 7 0 -4558.9912937614 -0.0000000011 0.000006421 0.000002219 0.000000000 0.000000000 22357010 3906154253
9 8 0 -4558.9912937616 -0.0000000002 0.000001454 0.000000760 0.000000000 0.000000000 21898418 3906201333
10 9 0 -4558.9912937617 -0.0000000000 0.000000317 0.000000139 0.000000000 0.000000000 20870144 3906295872
11 10 0 -4558.9912937616 0.0000000000 0.000000184 0.000000051 0.000000000 0.000000000 19889858 3906381797
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9912937616 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.21 TOTAL CPU TIME= 29684.8 ( 494.7 MIN)
TOTAL WALL CLOCK TIME= 5236.3 SECONDS, CPU UTILIZATION IS 566.91%
RHF RI MP2 ENERGY
ESCF= -4558.9912937616
E(2)= -7.6692797905
E(MP2)= -4566.6605735522
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.268110 -2.668350 -4.982514 9.207115
iFrag= 105 jFrag= 40 EFMOc= -4566.660573552
iFrag= 105 jFrag= 40 EFMOu= -4558.991293762 Tr= 0.000321020
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002313384
--------------------------------------
FINAL EFP ENERGY = -0.0002313384
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.721382 -4.265397 8.574837 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.448669 7.170276 -6.238169 9.814458
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.176089 -0.369697 8.173426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.699159 -8.373984 -18.859641 20.964099
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.448735 -2.317547 8.374132 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.147828 -1.203707 -25.097810 25.867832
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 106 66 corr= MP2 , LL1= 780 ID= 5525
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 106 66 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0489043589 -4559.0489043589 0.076038784 0.000000000 0.000000000 1.000000000 27587357 3905028682
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0489291692 -0.0000248103 0.018750042 0.005759916 0.000000000 0.000000000 26557265 3905576138
3 2 0 -4559.0491614873 -0.0002323181 0.008471750 0.001815965 0.000000000 0.000000000 25771593 3905718759
4 3 0 -4559.0491894219 -0.0000279346 0.000597392 0.000445827 0.000000000 0.000000000 25384685 3905775286
5 4 0 -4559.0491915857 -0.0000021638 0.000401833 0.000181398 0.000000000 0.000000000 24380429 3905897710
6 5 0 -4559.0491918365 -0.0000002508 0.000109674 0.000043268 0.000000000 0.000000000 23491732 3906022471
7 6 0 -4559.0491918611 -0.0000000246 0.000019229 0.000009198 0.000000000 0.000000000 22788541 3906100136
8 7 0 -4559.0491918623 -0.0000000012 0.000013475 0.000005395 0.000000000 0.000000000 21671586 3906212437
9 8 0 -4559.0491918624 -0.0000000002 0.000002182 0.000001469 0.000000000 0.000000000 21012894 3906287773
10 9 0 -4559.0491918624 0.0000000000 0.000000254 0.000000139 0.000000000 0.000000000 19867598 3906386547
11 10 0 -4559.0491918625 -0.0000000000 0.000000126 0.000000043 0.000000000 0.000000000 18963525 3906469023
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.2 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0491918625 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.12 TOTAL CPU TIME= 30247.0 ( 504.1 MIN)
TOTAL WALL CLOCK TIME= 5335.6 SECONDS, CPU UTILIZATION IS 566.89%
RHF RI MP2 ENERGY
ESCF= -4559.0491918625
E(2)= -7.6669001013
E(MP2)= -4566.7160919637
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.177958 -1.033647 -25.084944 25.855174
iFrag= 106 jFrag= 66 EFMOc= -4566.716091964
iFrag= 106 jFrag= 66 EFMOu= -4559.049191862 Tr= 0.000231338
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006184567
--------------------------------------
FINAL EFP ENERGY = -0.0006184567
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-0.730677 1.873885 -1.103253 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.222326 5.582483 15.548764 19.427407
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-2.772093 2.850854 -5.624585 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.465381 11.669776 -17.931974 21.399905
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.751385 2.362370 -3.363919 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.687707 17.252259 -2.383210 20.433972
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 151 137 corr= MP2 , LL1= 780 ID= 5655
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 151 137 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0943627271 -4559.0943627271 0.080037690 0.000000000 0.000000000 1.000000000 31070973 3904750700
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0210391182 0.0733236089 0.009338498 0.004407324 0.000000000 0.000000000 30365935 3905263242
3 2 0 -4559.0216383270 -0.0005992088 0.004486749 0.001205120 0.000000000 0.000000000 29622723 3905417680
4 3 0 -4559.0216995714 -0.0000612444 0.000766434 0.000468954 0.000000000 0.000000000 29241074 3905480859
5 4 0 -4559.0217050923 -0.0000055209 0.000195203 0.000149397 0.000000000 0.000000000 28163426 3905615225
6 5 0 -4559.0217056506 -0.0000005583 0.000164279 0.000032257 0.000000000 0.000000000 27233708 3905743748
7 6 0 -4559.0217057134 -0.0000000628 0.000030450 0.000007291 0.000000000 0.000000000 26663795 3905796809
8 7 0 -4559.0217057160 -0.0000000026 0.000011034 0.000003119 0.000000000 0.000000000 25334085 3905917528
9 8 0 -4559.0217057164 -0.0000000003 0.000001907 0.000001528 0.000000000 0.000000000 24733275 3905987756
10 9 0 -4559.0217057164 -0.0000000000 0.000000519 0.000000219 0.000000000 0.000000000 23818885 3906077613
11 10 0 -4559.0217057164 0.0000000000 0.000000305 0.000000064 0.000000000 0.000000000 22819455 3906178120
12 11 0 -4559.0217057164 -0.0000000000 0.000000056 0.000000011 0.000000000 0.000000000 21959454 3906259021
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0217057164 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 569.10 TOTAL CPU TIME= 30816.1 ( 513.6 MIN)
TOTAL WALL CLOCK TIME= 5436.1 SECONDS, CPU UTILIZATION IS 566.88%
RHF RI MP2 ENERGY
ESCF= -4559.0217057164
E(2)= -7.6705182374
E(MP2)= -4566.6922239538
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.841148 17.172825 -2.432922 20.453741
iFrag= 151 jFrag= 137 EFMOc= -4566.692223954
iFrag= 151 jFrag= 137 EFMOu= -4559.021705716 Tr= 0.000618457
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000694997
--------------------------------------
FINAL EFP ENERGY = -0.0000694997
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.373501 -13.296790 2.522950 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.585974 5.226739 10.973725 16.792147
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.442546 1.367795 -4.224366 5.618474
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.348199 -1.391278 -1.135590 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.028519 6.594534 6.749359 17.745369
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 109 10 corr= MP2 , LL1= 780 ID= 5787
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 109 10 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0676861443 -4559.0676861443 0.021503953 0.000000000 0.000000000 1.000000000 26816786 3905213984
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0679862315 -0.0003000872 0.004369995 0.000955906 0.000000000 0.000000000 25260312 3905753273
3 2 0 -4559.0680034290 -0.0000171975 0.001497823 0.000238181 0.000000000 0.000000000 24559415 3905863667
4 3 0 -4559.0680051471 -0.0000017181 0.000144691 0.000070836 0.000000000 0.000000000 24190954 3905911894
5 4 0 -4559.0680052805 -0.0000001335 0.000109109 0.000023316 0.000000000 0.000000000 23354925 3906004839
6 5 0 -4559.0680052960 -0.0000000155 0.000020167 0.000004798 0.000000000 0.000000000 22539363 3906113650
7 6 0 -4559.0680052973 -0.0000000012 0.000003281 0.000001150 0.000000000 0.000000000 22017698 3906169889
8 7 0 -4559.0680052973 -0.0000000000 0.000001494 0.000000436 0.000000000 0.000000000 20903521 3906286773
9 8 0 -4559.0680052974 -0.0000000000 0.000000235 0.000000137 0.000000000 0.000000000 20393506 3906337342
10 9 0 -4559.0680052973 0.0000000000 0.000000083 0.000000059 0.000000000 0.000000000 19443548 3906428573
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0680052973 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 557.67 TOTAL CPU TIME= 31373.7 ( 522.9 MIN)
TOTAL WALL CLOCK TIME= 5534.4 SECONDS, CPU UTILIZATION IS 566.89%
RHF RI MP2 ENERGY
ESCF= -4559.0680052973
E(2)= -7.6671478250
E(MP2)= -4566.7351531223
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.043110 6.586908 6.738510 17.750776
iFrag= 109 jFrag= 10 EFMOc= -4566.735153122
iFrag= 109 jFrag= 10 EFMOu= -4559.068005297 Tr= 0.000069500
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001575340
--------------------------------------
FINAL EFP ENERGY = -0.0001575340
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-8.189786 -5.197288 4.228492 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.462892 -15.661601 20.663550 26.497382
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.648810 10.418020 -2.404061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.968155 -1.049462 6.828436 7.183491
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.270488 2.610366 0.912216 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.494737 -16.711064 27.491985 32.361738
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 110 31 corr= MP2 , LL1= 780 ID= 5916
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 110 31 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0426731466 -4559.0426731466 0.012252956 0.000000000 0.000000000 1.000000000 26969477 3904870884
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0429798767 -0.0003067301 0.002203584 0.000754107 0.000000000 0.000000000 25032598 3905721294
3 2 0 -4559.0429989894 -0.0000191127 0.000868072 0.000267080 0.000000000 0.000000000 24117902 3905884189
4 3 0 -4559.0430017183 -0.0000027289 0.000269386 0.000108337 0.000000000 0.000000000 23737447 3905937926
5 4 0 -4559.0430019761 -0.0000002579 0.000071710 0.000019192 0.000000000 0.000000000 22551789 3906087333
6 5 0 -4559.0430019901 -0.0000000140 0.000011241 0.000005505 0.000000000 0.000000000 21766941 3906188370
7 6 0 -4559.0430019914 -0.0000000012 0.000002890 0.000000927 0.000000000 0.000000000 20850200 3906298052
8 7 0 -4559.0430019914 -0.0000000001 0.000001382 0.000000394 0.000000000 0.000000000 19909496 3906381515
9 8 0 -4559.0430019914 0.0000000000 0.000000326 0.000000246 0.000000000 0.000000000 19280048 3906442821
10 9 0 -4559.0430019914 0.0000000000 0.000000107 0.000000063 0.000000000 0.000000000 18409234 3906531099
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0430019914 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 556.59 TOTAL CPU TIME= 31930.3 ( 532.2 MIN)
TOTAL WALL CLOCK TIME= 5632.7 SECONDS, CPU UTILIZATION IS 566.87%
RHF RI MP2 ENERGY
ESCF= -4559.0430019914
E(2)= -7.6668742594
E(MP2)= -4566.7098762508
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.497196 -16.712902 27.489879 32.361164
iFrag= 110 jFrag= 31 EFMOc= -4566.709876251
iFrag= 110 jFrag= 31 EFMOu= -4559.043001991 Tr= 0.000157534
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001844806
--------------------------------------
FINAL EFP ENERGY = -0.0001844806
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-4.056733 -4.432143 -2.250088 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.502861 -14.715447 7.934043 21.490014
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.056000 5.312591 -1.397214 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.760285 3.036738 11.637361 12.339737
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.056366 0.440224 -1.823651 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.742576 -11.678709 19.571404 25.195933
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 111 50 corr= MP2 , LL1= 780 ID= 6044
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 111 50 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0595232880 -4559.0595232880 0.071414359 0.000000000 0.000000000 1.000000000 23654535 3905494033
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0559682202 0.0035550678 0.018693284 0.006129146 0.000000000 0.000000000 22612582 3906000641
3 2 0 -4559.0562978421 -0.0003296219 0.009582297 0.002308454 0.000000000 0.000000000 21973722 3906104315
4 3 0 -4559.0563418487 -0.0000440067 0.001069340 0.000659734 0.000000000 0.000000000 21710199 3906142077
5 4 0 -4559.0563460449 -0.0000041961 0.000389055 0.000153360 0.000000000 0.000000000 21018670 3906229825
6 5 0 -4559.0563463113 -0.0000002664 0.000085086 0.000036990 0.000000000 0.000000000 20472777 3906303184
7 6 0 -4559.0563463345 -0.0000000232 0.000017619 0.000011419 0.000000000 0.000000000 20037470 3906353822
8 7 0 -4559.0563463355 -0.0000000010 0.000012167 0.000004921 0.000000000 0.000000000 19309339 3906420162
9 8 0 -4559.0563463357 -0.0000000003 0.000003366 0.000000946 0.000000000 0.000000000 18896903 3906460527
10 9 0 -4559.0563463357 0.0000000000 0.000000316 0.000000095 0.000000000 0.000000000 18509271 3906506186
11 10 0 -4559.0563463358 -0.0000000000 0.000000145 0.000000043 0.000000000 0.000000000 18101011 3906552416
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0563463358 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.05 TOTAL CPU TIME= 32492.4 ( 541.5 MIN)
TOTAL WALL CLOCK TIME= 5732.1 SECONDS, CPU UTILIZATION IS 566.85%
RHF RI MP2 ENERGY
ESCF= -4559.0563463358
E(2)= -7.6675000543
E(MP2)= -4566.7238463900
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.717660 -11.853738 19.758184 25.411910
iFrag= 111 jFrag= 50 EFMOc= -4566.723846390
iFrag= 111 jFrag= 50 EFMOu= -4559.056346336 Tr= 0.000184481
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001778335
--------------------------------------
FINAL EFP ENERGY = -0.0001778335
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.367530 -6.267035 2.634233 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.300921 -2.522228 -17.849526 18.326574
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-13.373471 0.358536 -6.147044 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.128576 -13.268484 -10.935903 19.467346
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.002971 -2.954250 -1.756406 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.827655 -15.790712 -28.785429 33.345301
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 94 78 corr= MP2 , LL1= 780 ID= 6171
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 94 78 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0371146348 -4559.0371146348 0.060405272 0.000000000 0.000000000 1.000000000 26700286 3905122721
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0386918395 -0.0015772047 0.013507104 0.003260728 0.000000000 0.000000000 25467116 3905711592
3 2 0 -4559.0388385582 -0.0001467187 0.005348937 0.001044985 0.000000000 0.000000000 24779950 3905833078
4 3 0 -4559.0388528998 -0.0000143416 0.000611783 0.000281239 0.000000000 0.000000000 24417936 3905882187
5 4 0 -4559.0388542458 -0.0000013460 0.000297933 0.000125563 0.000000000 0.000000000 23577835 3905985701
6 5 0 -4559.0388544128 -0.0000001670 0.000120010 0.000030775 0.000000000 0.000000000 22852606 3906086992
7 6 0 -4559.0388544344 -0.0000000216 0.000010891 0.000005605 0.000000000 0.000000000 22445324 3906130841
8 7 0 -4559.0388544350 -0.0000000006 0.000006112 0.000003509 0.000000000 0.000000000 21310089 3906246520
9 8 0 -4559.0388544351 -0.0000000001 0.000001133 0.000000673 0.000000000 0.000000000 20965126 3906278759
10 9 0 -4559.0388544350 0.0000000000 0.000000145 0.000000102 0.000000000 0.000000000 20036673 3906363428
11 10 0 -4559.0388544351 -0.0000000000 0.000000060 0.000000020 0.000000000 0.000000000 19141164 3906442372
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0388544351 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.62 TOTAL CPU TIME= 33055.0 ( 550.9 MIN)
TOTAL WALL CLOCK TIME= 5831.6 SECONDS, CPU UTILIZATION IS 566.83%
RHF RI MP2 ENERGY
ESCF= -4559.0388544351
E(2)= -7.6682954749
E(MP2)= -4566.7071499100
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.738487 -15.761746 -28.743404 33.279816
iFrag= 94 jFrag= 78 EFMOc= -4566.707149910
iFrag= 94 jFrag= 78 EFMOu= -4559.038854435 Tr= 0.000177834
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003197282
--------------------------------------
FINAL EFP ENERGY = -0.0003197282
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-11.624402 -3.873735 1.761159 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.318284 -16.383799 26.768960 32.468446
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
8.125845 -5.876906 -6.938273 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.001654 3.624454 -0.584333 4.181474
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.749278 -4.875321 -2.588557 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.319938 -12.759345 26.184628 30.902051
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 113 81 corr= MP2 , LL1= 780 ID= 6296
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 113 81 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0648085868 -4559.0648085868 0.045047438 0.000000000 0.000000000 1.000000000 25817329 3905162938
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0565705802 0.0082380066 0.012631386 0.003369952 0.000000000 0.000000000 24649561 3905768943
3 2 0 -4559.0569004095 -0.0003298293 0.006456926 0.001128286 0.000000000 0.000000000 23877959 3905903851
4 3 0 -4559.0569452535 -0.0000448440 0.000888240 0.000694524 0.000000000 0.000000000 23552809 3905952200
5 4 0 -4559.0569492808 -0.0000040273 0.000281929 0.000123026 0.000000000 0.000000000 22633917 3906072941
6 5 0 -4559.0569495019 -0.0000002210 0.000100449 0.000030651 0.000000000 0.000000000 21992347 3906164913
7 6 0 -4559.0569495235 -0.0000000216 0.000016306 0.000005392 0.000000000 0.000000000 21435482 3906223056
8 7 0 -4559.0569495243 -0.0000000009 0.000007295 0.000002937 0.000000000 0.000000000 20484135 3906316404
9 8 0 -4559.0569495245 -0.0000000002 0.000001311 0.000000713 0.000000000 0.000000000 20075338 3906357852
10 9 0 -4559.0569495245 -0.0000000000 0.000000295 0.000000127 0.000000000 0.000000000 19043352 3906444411
11 10 0 -4559.0569495245 0.0000000000 0.000000096 0.000000039 0.000000000 0.000000000 18707163 3906485977
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0569495245 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.38 TOTAL CPU TIME= 33617.4 ( 560.3 MIN)
TOTAL WALL CLOCK TIME= 5930.9 SECONDS, CPU UTILIZATION IS 566.82%
RHF RI MP2 ENERGY
ESCF= -4559.0569495245
E(2)= -7.6672382787
E(MP2)= -4566.7241878032
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.262443 -13.015624 26.035438 30.863704
iFrag= 113 jFrag= 81 EFMOc= -4566.724187803
iFrag= 113 jFrag= 81 EFMOu= -4559.056949525 Tr= 0.000319728
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004004645
--------------------------------------
FINAL EFP ENERGY = -0.0004004645
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.263374 4.332527 -1.040724 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.510607 2.816477 2.088768 9.204668
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
6.383819 -6.190859 -0.270149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.342853 -4.562375 -12.239811 14.521020
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.823596 -0.929166 -0.655437 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.167754 -1.745898 -10.151043 10.525730
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 114 100 corr= MP2 , LL1= 780 ID= 6427
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 114 100 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0531179918 -4559.0531179918 0.045435563 0.000000000 0.000000000 1.000000000 26201459 3905170410
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0396581270 0.0134598648 0.013565415 0.003196282 0.000000000 0.000000000 25405917 3905694962
3 2 0 -4559.0400609572 -0.0004028302 0.006042924 0.001230272 0.000000000 0.000000000 24765949 3905825244
4 3 0 -4559.0401056940 -0.0000447367 0.000677306 0.000433241 0.000000000 0.000000000 24439352 3905878856
5 4 0 -4559.0401085668 -0.0000028728 0.000271093 0.000154166 0.000000000 0.000000000 23622547 3905986914
6 5 0 -4559.0401090194 -0.0000004526 0.000148849 0.000033666 0.000000000 0.000000000 22926119 3906083579
7 6 0 -4559.0401090616 -0.0000000422 0.000033516 0.000007216 0.000000000 0.000000000 22372740 3906149582
8 7 0 -4559.0401090632 -0.0000000016 0.000010544 0.000002265 0.000000000 0.000000000 21211421 3906262415
9 8 0 -4559.0401090634 -0.0000000002 0.000002655 0.000001415 0.000000000 0.000000000 20760479 3906310590
10 9 0 -4559.0401090635 -0.0000000000 0.000000651 0.000000264 0.000000000 0.000000000 19871212 3906387152
11 10 0 -4559.0401090635 0.0000000000 0.000000111 0.000000035 0.000000000 0.000000000 19260895 3906441805
12 11 0 -4559.0401090635 -0.0000000000 0.000000040 0.000000012 0.000000000 0.000000000 18528199 3906510291
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0401090635 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.96 TOTAL CPU TIME= 34185.3 ( 569.8 MIN)
TOTAL WALL CLOCK TIME= 6031.2 SECONDS, CPU UTILIZATION IS 566.81%
RHF RI MP2 ENERGY
ESCF= -4559.0401090635
E(2)= -7.6685971274
E(MP2)= -4566.7087061909
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.092073 -1.593980 -10.254710 10.586624
iFrag= 114 jFrag= 100 EFMOc= -4566.708706191
iFrag= 114 jFrag= 100 EFMOu= -4559.040109063 Tr= 0.000400465
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001790259
--------------------------------------
FINAL EFP ENERGY = -0.0001790259
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
7.905276 1.654618 -8.566142 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.462749 -0.497829 -6.761120 20.609686
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.551611 -2.597648 0.668213 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.766548 -2.808206 18.123632 25.534335
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.676832 -0.471515 -3.948964 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
37.229297 -3.306035 11.362511 39.064781
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 41 39 corr= MP2 , LL1= 780 ID= 6558
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 41 39 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0515524774 -4559.0515524774 0.049158939 0.000000000 0.000000000 1.000000000 20650053 3905794449
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0387735546 0.0127789228 0.008856412 0.004986098 0.000000000 0.000000000 19610815 3906264928
3 2 0 -4559.0389288290 -0.0001552744 0.003042018 0.001487934 0.000000000 0.000000000 19157021 3906347652
4 3 0 -4559.0389427802 -0.0000139512 0.000492125 0.000237313 0.000000000 0.000000000 18944575 3906382002
5 4 0 -4559.0389436472 -0.0000008670 0.000188289 0.000119578 0.000000000 0.000000000 18498448 3906438006
6 5 0 -4559.0389438475 -0.0000002003 0.000081377 0.000038247 0.000000000 0.000000000 18119421 3906492512
7 6 0 -4559.0389438656 -0.0000000181 0.000007806 0.000003425 0.000000000 0.000000000 17726331 3906537989
8 7 0 -4559.0389438659 -0.0000000002 0.000002597 0.000000940 0.000000000 0.000000000 17016519 3906605310
9 8 0 -4559.0389438659 -0.0000000000 0.000000453 0.000000274 0.000000000 0.000000000 16867136 3906621543
10 9 0 -4559.0389438659 -0.0000000000 0.000000221 0.000000099 0.000000000 0.000000000 16440638 3906668306
11 10 0 -4559.0389438659 0.0000000000 0.000000040 0.000000018 0.000000000 0.000000000 16187484 3906691922
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.3 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0389438659 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.46 TOTAL CPU TIME= 34746.8 ( 579.1 MIN)
TOTAL WALL CLOCK TIME= 6130.4 SECONDS, CPU UTILIZATION IS 566.79%
RHF RI MP2 ENERGY
ESCF= -4559.0389438659
E(2)= -7.6649024652
E(MP2)= -4566.7038463311
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
37.197392 -3.206939 11.374605 39.029631
iFrag= 41 jFrag= 39 EFMOc= -4566.703846331
iFrag= 41 jFrag= 39 EFMOu= -4559.038943866 Tr= 0.000179026
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003575978
--------------------------------------
FINAL EFP ENERGY = -0.0003575978
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
4.911278 -0.998634 8.151624 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.854670 1.534123 11.443746 11.694129
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.912630 3.313886 2.522592 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.032384 7.119055 5.226809 9.708790
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.411954 1.157626 5.337108 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.887053 8.653179 16.670555 19.683554
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 117 18 corr= MP2 , LL1= 780 ID= 6687
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 117 18 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1130788291 -4559.1130788291 0.088759900 0.000000000 0.000000000 1.000000000 28339204 3904868955
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0359785861 0.0771002430 0.009798142 0.004081926 0.000000000 0.000000000 27328744 3905476506
3 2 0 -4559.0365170285 -0.0005384424 0.003922123 0.001435069 0.000000000 0.000000000 26353440 3905648191
4 3 0 -4559.0365757086 -0.0000586801 0.000871034 0.000571411 0.000000000 0.000000000 25815294 3905721523
5 4 0 -4559.0365805414 -0.0000048328 0.000249990 0.000122392 0.000000000 0.000000000 24657155 3905862133
6 5 0 -4559.0365810189 -0.0000004774 0.000158088 0.000028292 0.000000000 0.000000000 23814130 3905984456
7 6 0 -4559.0365810717 -0.0000000528 0.000041607 0.000006831 0.000000000 0.000000000 23299282 3906049831
8 7 0 -4559.0365810747 -0.0000000030 0.000010832 0.000003364 0.000000000 0.000000000 22261200 3906167733
9 8 0 -4559.0365810751 -0.0000000003 0.000002900 0.000001321 0.000000000 0.000000000 21555706 3906241390
10 9 0 -4559.0365810751 -0.0000000001 0.000000730 0.000000374 0.000000000 0.000000000 20635390 3906325278
11 10 0 -4559.0365810751 0.0000000000 0.000000224 0.000000068 0.000000000 0.000000000 19846546 3906392003
12 11 0 -4559.0365810751 0.0000000000 0.000000056 0.000000016 0.000000000 0.000000000 19270898 3906446909
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0365810751 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 569.04 TOTAL CPU TIME= 35315.8 ( 588.6 MIN)
TOTAL WALL CLOCK TIME= 6230.9 SECONDS, CPU UTILIZATION IS 566.79%
RHF RI MP2 ENERGY
ESCF= -4559.0365810751
E(2)= -7.6676134224
E(MP2)= -4566.7041944976
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.817351 8.850118 16.507204 19.612597
iFrag= 117 jFrag= 18 EFMOc= -4566.704194498
iFrag= 117 jFrag= 18 EFMOu= -4559.036581075 Tr= 0.000357598
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004585849
--------------------------------------
FINAL EFP ENERGY = -0.0004585849
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.694661 -6.702311 1.413656 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.451333 -6.576143 -5.267703 8.549895
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.742987 4.020105 0.040641 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.158403 -3.584793 2.639667 13.891082
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.718824 -1.341103 0.727148 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.707071 -10.160935 -2.628036 15.722808
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 118 29 corr= MP2 , LL1= 780 ID= 6814
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 118 29 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0592301276 -4559.0592301276 0.042241836 0.000000000 0.000000000 1.000000000 29919723 3904720134
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0526804274 0.0065497001 0.009542460 0.002683453 0.000000000 0.000000000 29062538 3905314384
3 2 0 -4559.0530617234 -0.0003812960 0.003780338 0.001032107 0.000000000 0.000000000 28149603 3905476107
4 3 0 -4559.0531044914 -0.0000427680 0.000616399 0.000395520 0.000000000 0.000000000 27692927 3905542671
5 4 0 -4559.0531081521 -0.0000036607 0.000243591 0.000131497 0.000000000 0.000000000 26494882 3905691905
6 5 0 -4559.0531085121 -0.0000003601 0.000086336 0.000033044 0.000000000 0.000000000 25517472 3905822365
7 6 0 -4559.0531085493 -0.0000000372 0.000016942 0.000006163 0.000000000 0.000000000 24926734 3905890680
8 7 0 -4559.0531085508 -0.0000000015 0.000008165 0.000002310 0.000000000 0.000000000 23486739 3906047785
9 8 0 -4559.0531085510 -0.0000000002 0.000001819 0.000001141 0.000000000 0.000000000 22888448 3906107151
10 9 0 -4559.0531085510 -0.0000000000 0.000000405 0.000000210 0.000000000 0.000000000 21756995 3906210059
11 10 0 -4559.0531085510 -0.0000000000 0.000000162 0.000000045 0.000000000 0.000000000 20781210 3906311706
12 11 0 -4559.0531085510 0.0000000000 0.000000027 0.000000012 0.000000000 0.000000000 20243910 3906371327
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0531085510 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.57 TOTAL CPU TIME= 35884.4 ( 598.1 MIN)
TOTAL WALL CLOCK TIME= 6331.5 SECONDS, CPU UTILIZATION IS 566.76%
RHF RI MP2 ENERGY
ESCF= -4559.0531085510
E(2)= -7.6704830838
E(MP2)= -4566.7235916349
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.482630 -10.053346 -2.677004 15.494738
iFrag= 118 jFrag= 29 EFMOc= -4566.723591635
iFrag= 118 jFrag= 29 EFMOu= -4559.053108551 Tr= 0.000458585
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002814259
--------------------------------------
FINAL EFP ENERGY = -0.0002814259
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.992416 1.333897 2.698430 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.726994 -9.574296 8.140579 12.859730
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.319815 -2.589453 1.635054 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.992659 1.472108 -1.154744 8.208723
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.163699 -0.627778 2.166742 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.719653 -8.102187 6.985835 15.144580
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 119 43 corr= MP2 , LL1= 780 ID= 6945
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 119 43 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0762180563 -4559.0762180563 0.055881258 0.000000000 0.000000000 1.000000000 25250725 3905381318
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0671470315 0.0090710249 0.014350714 0.004802184 0.000000000 0.000000000 24333487 3905847105
3 2 0 -4559.0676030410 -0.0004560095 0.006588366 0.001486921 0.000000000 0.000000000 23848829 3905939858
4 3 0 -4559.0676571090 -0.0000540680 0.000895224 0.000600928 0.000000000 0.000000000 23626456 3905977974
5 4 0 -4559.0676614526 -0.0000043436 0.000296011 0.000165895 0.000000000 0.000000000 23009547 3906058259
6 5 0 -4559.0676619064 -0.0000004538 0.000075766 0.000040595 0.000000000 0.000000000 22472783 3906125584
7 6 0 -4559.0676619429 -0.0000000365 0.000016782 0.000006284 0.000000000 0.000000000 22061704 3906168525
8 7 0 -4559.0676619442 -0.0000000013 0.000007786 0.000003704 0.000000000 0.000000000 21269313 3906242845
9 8 0 -4559.0676619445 -0.0000000003 0.000001805 0.000001054 0.000000000 0.000000000 20971115 3906277763
10 9 0 -4559.0676619445 -0.0000000000 0.000000467 0.000000140 0.000000000 0.000000000 20375646 3906337906
11 10 0 -4559.0676619445 0.0000000000 0.000000117 0.000000034 0.000000000 0.000000000 19811891 3906394732
12 11 0 -4559.0676619445 -0.0000000000 0.000000029 0.000000017 0.000000000 0.000000000 19220216 3906459375
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.0 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0676619445 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.74 TOTAL CPU TIME= 36452.1 ( 607.5 MIN)
TOTAL WALL CLOCK TIME= 6432.0 SECONDS, CPU UTILIZATION IS 566.73%
RHF RI MP2 ENERGY
ESCF= -4559.0676619445
E(2)= -7.6712172732
E(MP2)= -4566.7388792177
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.731864 -7.949376 7.011849 15.084148
iFrag= 119 jFrag= 43 EFMOc= -4566.738879218
iFrag= 119 jFrag= 43 EFMOu= -4559.067661945 Tr= 0.000281426
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004380088
--------------------------------------
FINAL EFP ENERGY = -0.0004380088
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.816627 0.175063 -4.538430 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.741478 9.046963 18.848123 20.920064
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.196761 -6.362523 8.523129 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.477398 1.445540 7.522777 8.051041
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.309933 -3.093730 1.992350 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.218876 10.492503 26.370900 28.563581
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 120 56 corr= MP2 , LL1= 780 ID= 7076
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 120 56 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0071571478 -4559.0071571478 0.041654769 0.000000000 0.000000000 1.000000000 26069297 3905251940
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9887139762 0.0184431715 0.011372739 0.004414898 0.000000000 0.000000000 25265448 3905727537
3 2 0 -4558.9891382361 -0.0004242599 0.005946090 0.001544609 0.000000000 0.000000000 24641426 3905846677
4 3 0 -4558.9891982898 -0.0000600537 0.000910485 0.000549926 0.000000000 0.000000000 24378116 3905885799
5 4 0 -4558.9892036896 -0.0000053998 0.000250742 0.000100643 0.000000000 0.000000000 23592505 3905983718
6 5 0 -4558.9892040235 -0.0000003339 0.000093052 0.000033351 0.000000000 0.000000000 22743957 3906092971
7 6 0 -4558.9892040599 -0.0000000363 0.000020057 0.000008444 0.000000000 0.000000000 22087648 3906164046
8 7 0 -4558.9892040611 -0.0000000013 0.000008648 0.000002356 0.000000000 0.000000000 21253701 3906246478
9 8 0 -4558.9892040614 -0.0000000002 0.000002410 0.000001036 0.000000000 0.000000000 20934764 3906279389
10 9 0 -4558.9892040614 0.0000000000 0.000000324 0.000000197 0.000000000 0.000000000 20161629 3906357329
11 10 0 -4558.9892040614 -0.0000000000 0.000000162 0.000000054 0.000000000 0.000000000 19640136 3906414422
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9892040614 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.33 TOTAL CPU TIME= 37015.5 ( 616.9 MIN)
TOTAL WALL CLOCK TIME= 6531.6 SECONDS, CPU UTILIZATION IS 566.72%
RHF RI MP2 ENERGY
ESCF= -4558.9892040614
E(2)= -7.6690875594
E(MP2)= -4566.6582916207
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.288775 10.674000 26.229012 28.508093
iFrag= 120 jFrag= 56 EFMOc= -4566.658291621
iFrag= 120 jFrag= 56 EFMOu= -4558.989204061 Tr= 0.000438009
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007031099
--------------------------------------
FINAL EFP ENERGY = -0.0007031099
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.530626 0.802641 3.152245 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.945133 2.589632 -20.995848 21.519663
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.176089 -0.369697 8.173426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.801342 -8.351406 -19.023927 21.121221
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.353357 0.216472 5.662835 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.746474 -5.761774 -40.019775 41.167806
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 121 66 corr= MP2 , LL1= 780 ID= 7205
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 121 66 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1079977786 -4559.1079977786 0.050285787 0.000000000 0.000000000 1.000000000 33768261 3904482210
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0724208212 0.0355769574 0.015130000 0.006394981 0.000000000 0.000000000 33311981 3904971247
3 2 0 -4559.0732898714 -0.0008690502 0.007650270 0.002147619 0.000000000 0.000000000 32382543 3905142149
4 3 0 -4559.0734236263 -0.0001337549 0.001351190 0.000714724 0.000000000 0.000000000 31992864 3905198327
5 4 0 -4559.0734350464 -0.0000114201 0.000410586 0.000153032 0.000000000 0.000000000 30969943 3905329454
6 5 0 -4559.0734357992 -0.0000007528 0.000117015 0.000037843 0.000000000 0.000000000 30013965 3905465272
7 6 0 -4559.0734358768 -0.0000000776 0.000021625 0.000006707 0.000000000 0.000000000 29182324 3905573494
8 7 0 -4559.0734358796 -0.0000000028 0.000010402 0.000002497 0.000000000 0.000000000 27892243 3905708637
9 8 0 -4559.0734358801 -0.0000000005 0.000002307 0.000001732 0.000000000 0.000000000 27362130 3905764260
10 9 0 -4559.0734358801 -0.0000000000 0.000000384 0.000000309 0.000000000 0.000000000 25978128 3905891799
11 10 0 -4559.0734358801 0.0000000000 0.000000194 0.000000049 0.000000000 0.000000000 24809345 3906014796
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.8 SECONDS ( 5.3 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0734358801 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 564.07 TOTAL CPU TIME= 37579.6 ( 626.3 MIN)
TOTAL WALL CLOCK TIME= 6631.2 SECONDS, CPU UTILIZATION IS 566.71%
RHF RI MP2 ENERGY
ESCF= -4559.0734358801
E(2)= -7.6738897547
E(MP2)= -4566.7473256348
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.965535 -6.032801 -40.358834 41.577396
iFrag= 121 jFrag= 66 EFMOc= -4566.747325635
iFrag= 121 jFrag= 66 EFMOu= -4559.073435880 Tr= 0.000703110
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001835999
--------------------------------------
FINAL EFP ENERGY = -0.0001835999
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.705433 2.746563 -0.835380 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.182015 -5.201090 14.810530 23.272834
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-6.012497 3.193300 -1.951300 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.928080 -1.640517 0.981217 4.368512
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.153532 2.969931 -1.393340 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.110095 -6.841607 15.791748 27.236428
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 122 74 corr= MP2 , LL1= 780 ID= 7333
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 122 74 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0315269712 -4559.0315269712 0.043598112 0.000000000 0.000000000 1.000000000 30541183 3904663706
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0299682763 0.0015586949 0.010285275 0.003634705 0.000000000 0.000000000 28845288 3905379080
3 2 0 -4559.0302102381 -0.0002419617 0.004038689 0.000977570 0.000000000 0.000000000 27772644 3905551714
4 3 0 -4559.0302339592 -0.0000237211 0.000622683 0.000278825 0.000000000 0.000000000 27272013 3905624012
5 4 0 -4559.0302353345 -0.0000013753 0.000182307 0.000094861 0.000000000 0.000000000 26098559 3905766681
6 5 0 -4559.0302355746 -0.0000002401 0.000088247 0.000022995 0.000000000 0.000000000 25192556 3905888159
7 6 0 -4559.0302355980 -0.0000000234 0.000014717 0.000005786 0.000000000 0.000000000 24546092 3905960766
8 7 0 -4559.0302355990 -0.0000000009 0.000005699 0.000002331 0.000000000 0.000000000 23125853 3906112973
9 8 0 -4559.0302355991 -0.0000000002 0.000001068 0.000000526 0.000000000 0.000000000 22508863 3906175134
10 9 0 -4559.0302355991 -0.0000000000 0.000000299 0.000000239 0.000000000 0.000000000 21372486 3906282033
11 10 0 -4559.0302355991 0.0000000000 0.000000084 0.000000037 0.000000000 0.000000000 20523769 3906362828
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0302355991 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.74 TOTAL CPU TIME= 38143.3 ( 635.7 MIN)
TOTAL WALL CLOCK TIME= 6730.6 SECONDS, CPU UTILIZATION IS 566.71%
RHF RI MP2 ENERGY
ESCF= -4559.0302355991
E(2)= -7.6696930555
E(MP2)= -4566.6999286546
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.053463 -6.748673 15.764402 27.153439
iFrag= 122 jFrag= 74 EFMOc= -4566.699928655
iFrag= 122 jFrag= 74 EFMOu= -4559.030235599 Tr= 0.000183600
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001938156
--------------------------------------
FINAL EFP ENERGY = -0.0001938156
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.190119 2.143964 4.200499 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.278759 1.964125 10.329727 10.592274
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.249873 3.545646 -4.689094 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.669348 2.934911 2.914683 5.529303
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.029877 2.844805 -0.244297 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.948106 4.899036 13.244410 14.963245
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 123 80 corr= MP2 , LL1= 780 ID= 7460
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 123 80 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0651536198 -4559.0651536198 0.031362263 0.000000000 0.000000000 1.000000000 24705630 3905340321
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0603633386 0.0047902812 0.009027151 0.002666790 0.000000000 0.000000000 23331374 3905904982
3 2 0 -4559.0605276997 -0.0001643611 0.005063349 0.001130689 0.000000000 0.000000000 22666948 3906020921
4 3 0 -4559.0605548702 -0.0000271705 0.000879119 0.000474536 0.000000000 0.000000000 22383761 3906058086
5 4 0 -4559.0605571596 -0.0000022895 0.000232471 0.000086321 0.000000000 0.000000000 21559617 3906159855
6 5 0 -4559.0605572516 -0.0000000919 0.000059782 0.000021703 0.000000000 0.000000000 20728342 3906260360
7 6 0 -4559.0605572622 -0.0000000107 0.000013081 0.000006956 0.000000000 0.000000000 20173961 3906331661
8 7 0 -4559.0605572627 -0.0000000005 0.000005512 0.000003023 0.000000000 0.000000000 19297547 3906423480
9 8 0 -4559.0605572628 -0.0000000001 0.000001314 0.000000389 0.000000000 0.000000000 18740593 3906481552
10 9 0 -4559.0605572628 -0.0000000000 0.000000383 0.000000109 0.000000000 0.000000000 18059043 3906544049
11 10 0 -4559.0605572628 0.0000000000 0.000000063 0.000000029 0.000000000 0.000000000 17701150 3906579623
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0605572628 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.61 TOTAL CPU TIME= 38705.9 ( 645.1 MIN)
TOTAL WALL CLOCK TIME= 6830.0 SECONDS, CPU UTILIZATION IS 566.71%
RHF RI MP2 ENERGY
ESCF= -4559.0605572628
E(2)= -7.6655455641
E(MP2)= -4566.7261028269
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.927658 5.039197 13.444646 15.180047
iFrag= 123 jFrag= 80 EFMOc= -4566.726102827
iFrag= 123 jFrag= 80 EFMOu= -4559.060557263 Tr= 0.000193816
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002039538
--------------------------------------
FINAL EFP ENERGY = -0.0002039538
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.779067 2.914368 -4.471235 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.657212 -5.590695 4.585959 9.828802
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.934245 -1.977295 3.930397 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.551991 8.134266 2.659826 11.413742
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.077589 0.468536 -0.270419 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.894779 2.543571 7.245785 7.731221
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 124 85 corr= MP2 , LL1= 780 ID= 7587
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 124 85 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0173646296 -4559.0173646296 0.010153023 0.000000000 0.000000000 1.000000000 26047288 3905334890
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0178413004 -0.0004766707 0.002052866 0.001171567 0.000000000 0.000000000 24985323 3905810986
3 2 0 -4559.0178713356 -0.0000300353 0.000818901 0.000395214 0.000000000 0.000000000 24399475 3905913491
4 3 0 -4559.0178749006 -0.0000035650 0.000200009 0.000146321 0.000000000 0.000000000 24074045 3905955817
5 4 0 -4559.0178753040 -0.0000004035 0.000060861 0.000025469 0.000000000 0.000000000 23259156 3906053993
6 5 0 -4559.0178753326 -0.0000000285 0.000017880 0.000007689 0.000000000 0.000000000 22847922 3906102482
7 6 0 -4559.0178753348 -0.0000000022 0.000004707 0.000001562 0.000000000 0.000000000 22162482 3906184997
8 7 0 -4559.0178753349 -0.0000000001 0.000001903 0.000000475 0.000000000 0.000000000 21497952 3906253444
9 8 0 -4559.0178753349 -0.0000000000 0.000000506 0.000000129 0.000000000 0.000000000 21066684 3906305414
10 9 0 -4559.0178753349 0.0000000000 0.000000129 0.000000076 0.000000000 0.000000000 20353328 3906386851
11 10 0 -4559.0178753349 0.0000000000 0.000000026 0.000000020 0.000000000 0.000000000 19848329 3906434716
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0178753349 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.72 TOTAL CPU TIME= 39268.6 ( 654.5 MIN)
TOTAL WALL CLOCK TIME= 6929.4 SECONDS, CPU UTILIZATION IS 566.69%
RHF RI MP2 ENERGY
ESCF= -4559.0178753349
E(2)= -7.6704636845
E(MP2)= -4566.6883390194
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.892516 2.548488 7.248666 7.735279
iFrag= 124 jFrag= 85 EFMOc= -4566.688339019
iFrag= 124 jFrag= 85 EFMOu= -4559.017875335 Tr= 0.000203954
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002620435
--------------------------------------
FINAL EFP ENERGY = -0.0002620435
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
2.607809 9.046029 -0.694010 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.409492 -7.464059 -4.792042 9.191381
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.050795 5.003362 6.329987 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.647948 -7.681360 -1.141478 8.579848
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.329302 7.024695 2.817988 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.238456 -15.145419 -5.933519 16.313312
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 125 91 corr= MP2 , LL1= 780 ID= 7716
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 125 91 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0382442477 -4559.0382442477 0.048654929 0.000000000 0.000000000 1.000000000 25658881 3905337127
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0385497174 -0.0003054697 0.011364927 0.004267961 0.000000000 0.000000000 24926784 3905779990
3 2 0 -4559.0388711414 -0.0003214240 0.004947679 0.001407169 0.000000000 0.000000000 24280572 3905884567
4 3 0 -4559.0389098124 -0.0000386709 0.000912562 0.000504041 0.000000000 0.000000000 23983814 3905925746
5 4 0 -4559.0389124001 -0.0000025877 0.000266652 0.000165946 0.000000000 0.000000000 23323781 3906010130
6 5 0 -4559.0389127044 -0.0000003043 0.000071032 0.000030445 0.000000000 0.000000000 22777143 3906084702
7 6 0 -4559.0389127282 -0.0000000238 0.000017585 0.000006103 0.000000000 0.000000000 22384617 3906137166
8 7 0 -4559.0389127293 -0.0000000011 0.000006887 0.000002256 0.000000000 0.000000000 21562788 3906221454
9 8 0 -4559.0389127295 -0.0000000001 0.000001464 0.000001110 0.000000000 0.000000000 21168276 3906262018
10 9 0 -4559.0389127295 -0.0000000000 0.000000409 0.000000317 0.000000000 0.000000000 20126279 3906362694
11 10 0 -4559.0389127295 -0.0000000000 0.000000150 0.000000042 0.000000000 0.000000000 19612576 3906403267
12 11 0 -4559.0389127295 -0.0000000000 0.000000054 0.000000014 0.000000000 0.000000000 19036757 3906465584
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0389127295 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.25 TOTAL CPU TIME= 39835.9 ( 663.9 MIN)
TOTAL WALL CLOCK TIME= 7029.6 SECONDS, CPU UTILIZATION IS 566.68%
RHF RI MP2 ENERGY
ESCF= -4559.0389127295
E(2)= -7.6685584506
E(MP2)= -4566.7074711801
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.290470 -14.930245 -5.850268 16.087360
iFrag= 125 jFrag= 91 EFMOc= -4566.707471180
iFrag= 125 jFrag= 91 EFMOu= -4559.038912730 Tr= 0.000262043
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005090460
--------------------------------------
FINAL EFP ENERGY = -0.0005090460
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.890813 0.197758 10.127512 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.630653 -3.769789 4.370132 8.063102
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.153410 3.002240 2.231531 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.442155 -0.097050 -7.082690 19.755682
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.868701 1.599999 6.179522 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.072808 -3.866839 -2.712558 24.531826
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 126 97 corr= MP2 , LL1= 780 ID= 7846
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 126 97 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0855780669 -4559.0855780669 0.073570998 0.000000000 0.000000000 1.000000000 27043920 3904969532
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0020937744 0.0834842925 0.013076202 0.004644126 0.000000000 0.000000000 26156603 3905596805
3 2 0 -4559.0026494616 -0.0005556872 0.005506464 0.001061396 0.000000000 0.000000000 25362454 3905756100
4 3 0 -4559.0027037481 -0.0000542864 0.001004696 0.000528046 0.000000000 0.000000000 24939736 3905824162
5 4 0 -4559.0027088163 -0.0000050683 0.000279808 0.000156548 0.000000000 0.000000000 24022974 3905950602
6 5 0 -4559.0027093958 -0.0000005795 0.000179419 0.000043502 0.000000000 0.000000000 23266636 3906064164
7 6 0 -4559.0027094718 -0.0000000760 0.000030139 0.000006584 0.000000000 0.000000000 22797862 3906114883
8 7 0 -4559.0027094743 -0.0000000024 0.000010117 0.000002826 0.000000000 0.000000000 21598359 3906232279
9 8 0 -4559.0027094746 -0.0000000003 0.000001386 0.000000669 0.000000000 0.000000000 21142251 3906275478
10 9 0 -4559.0027094746 -0.0000000000 0.000000341 0.000000242 0.000000000 0.000000000 20532281 3906342208
11 10 0 -4559.0027094746 0.0000000000 0.000000236 0.000000067 0.000000000 0.000000000 20043060 3906387605
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0027094746 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.98 TOTAL CPU TIME= 40398.9 ( 673.3 MIN)
TOTAL WALL CLOCK TIME= 7129.0 SECONDS, CPU UTILIZATION IS 566.68%
RHF RI MP2 ENERGY
ESCF= -4559.0027094746
E(2)= -7.6679011726
E(MP2)= -4566.6706106471
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-23.872514 -3.916067 -2.820165 24.355407
iFrag= 126 jFrag= 97 EFMOc= -4566.670610647
iFrag= 126 jFrag= 97 EFMOu= -4559.002709475 Tr= 0.000509046
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001758532
--------------------------------------
FINAL EFP ENERGY = -0.0001758532
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
4.784365 -1.401851 5.328628 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.590379 -19.020104 19.747179 28.198378
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
6.383819 -6.190859 -0.270149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.248102 -4.692863 -12.108455 14.410983
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.584092 -3.796355 2.529239 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.342278 -23.712967 7.638724 24.915298
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 127 100 corr= MP2 , LL1= 780 ID= 7974
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 127 100 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0399090181 -4559.0399090181 0.041553118 0.000000000 0.000000000 1.000000000 24460637 3905340181
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0409874811 -0.0010784629 0.008244943 0.002495826 0.000000000 0.000000000 23295279 3905883651
3 2 0 -4559.0410859081 -0.0000984270 0.003002771 0.000951875 0.000000000 0.000000000 22616963 3906000819
4 3 0 -4559.0410948567 -0.0000089486 0.000495577 0.000319089 0.000000000 0.000000000 22271072 3906051803
5 4 0 -4559.0410960380 -0.0000011814 0.000181508 0.000085032 0.000000000 0.000000000 21558885 3906156163
6 5 0 -4559.0410961105 -0.0000000725 0.000058581 0.000018399 0.000000000 0.000000000 20972899 3906240250
7 6 0 -4559.0410961199 -0.0000000094 0.000006376 0.000003090 0.000000000 0.000000000 20565901 3906283999
8 7 0 -4559.0410961201 -0.0000000002 0.000004725 0.000001294 0.000000000 0.000000000 19252457 3906413368
9 8 0 -4559.0410961201 -0.0000000000 0.000000621 0.000000390 0.000000000 0.000000000 19051323 3906438459
10 9 0 -4559.0410961201 -0.0000000000 0.000000147 0.000000092 0.000000000 0.000000000 18179124 3906522059
11 10 0 -4559.0410961201 -0.0000000000 0.000000088 0.000000023 0.000000000 0.000000000 17491923 3906585929
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0410961201 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.56 TOTAL CPU TIME= 40960.4 ( 682.7 MIN)
TOTAL WALL CLOCK TIME= 7228.4 SECONDS, CPU UTILIZATION IS 566.66%
RHF RI MP2 ENERGY
ESCF= -4559.0410961201
E(2)= -7.6656016920
E(MP2)= -4566.7066978121
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.358309 -23.731990 7.620833 24.928154
iFrag= 127 jFrag= 100 EFMOc= -4566.706697812
iFrag= 127 jFrag= 100 EFMOu= -4559.041096120 Tr= 0.000175853
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003689120
--------------------------------------
FINAL EFP ENERGY = -0.0003689120
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.925844 -8.073332 2.292572 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.053707 -1.123563 14.790499 14.974610
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
4.849302 -0.781016 7.940513 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.367585 -1.505790 -9.551658 11.059500
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.961729 -4.427174 5.116542 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.313877 -2.629353 5.238841 6.733553
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 128 104 corr= MP2 , LL1= 780 ID= 8104
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 128 104 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0694666591 -4559.0694666591 0.067569029 0.000000000 0.000000000 1.000000000 29402608 3904773201
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0658694273 0.0035972318 0.018435771 0.005473888 0.000000000 0.000000000 28403104 3905396593
3 2 0 -4559.0662209196 -0.0003514923 0.009566914 0.002112950 0.000000000 0.000000000 27554089 3905557372
4 3 0 -4559.0662696600 -0.0000487405 0.001018246 0.000806423 0.000000000 0.000000000 27105667 3905621861
5 4 0 -4559.0662739793 -0.0000043192 0.000391711 0.000136304 0.000000000 0.000000000 25952893 3905759815
6 5 0 -4559.0662742507 -0.0000002715 0.000068389 0.000027934 0.000000000 0.000000000 24872618 3905893178
7 6 0 -4559.0662742737 -0.0000000230 0.000014977 0.000009702 0.000000000 0.000000000 23914945 3905998509
8 7 0 -4559.0662742747 -0.0000000010 0.000008940 0.000004487 0.000000000 0.000000000 22731750 3906118220
9 8 0 -4559.0662742750 -0.0000000003 0.000002076 0.000000640 0.000000000 0.000000000 22116556 3906184108
10 9 0 -4559.0662742750 0.0000000000 0.000000345 0.000000165 0.000000000 0.000000000 20810918 3906311620
11 10 0 -4559.0662742750 -0.0000000000 0.000000139 0.000000061 0.000000000 0.000000000 20338068 3906365636
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0662742750 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.96 TOTAL CPU TIME= 41523.4 ( 692.1 MIN)
TOTAL WALL CLOCK TIME= 7327.8 SECONDS, CPU UTILIZATION IS 566.65%
RHF RI MP2 ENERGY
ESCF= -4559.0662742750
E(2)= -7.6688726688
E(MP2)= -4566.7351469438
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.309638 -2.797799 5.429459 6.946971
iFrag= 128 jFrag= 104 EFMOc= -4566.735146944
iFrag= 128 jFrag= 104 EFMOu= -4559.066274275 Tr= 0.000368912
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007293879
--------------------------------------
FINAL EFP ENERGY = -0.0007293879
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-9.080623 -3.979035 7.753915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.230308 3.214293 -5.337041 12.842722
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.196761 -6.362523 8.523129 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.467365 1.261327 7.712692 8.195393
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.138692 -5.170779 8.138522 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.697673 4.475620 2.375651 14.604833
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 93 56 corr= MP2 , LL1= 780 ID= 8232
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 93 56 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1132861590 -4559.1132861590 0.068267520 0.000000000 0.000000000 1.000000000 26407399 3905177373
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0183097712 0.0949763878 0.014648116 0.005943645 0.000000000 0.000000000 25533386 3905691506
3 2 0 -4559.0190887670 -0.0007789958 0.007818563 0.002304440 0.000000000 0.000000000 24900113 3905810570
4 3 0 -4559.0192120233 -0.0001232563 0.001485869 0.000802412 0.000000000 0.000000000 24649782 3905850815
5 4 0 -4559.0192244717 -0.0000124484 0.000480520 0.000225793 0.000000000 0.000000000 23804308 3905960151
6 5 0 -4559.0192255103 -0.0000010386 0.000157030 0.000062020 0.000000000 0.000000000 23054957 3906050228
7 6 0 -4559.0192256062 -0.0000000958 0.000027509 0.000014292 0.000000000 0.000000000 22096308 3906155830
8 7 0 -4559.0192256100 -0.0000000038 0.000013154 0.000005449 0.000000000 0.000000000 21427890 3906220149
9 8 0 -4559.0192256105 -0.0000000005 0.000003283 0.000002523 0.000000000 0.000000000 20925933 3906271131
10 9 0 -4559.0192256106 -0.0000000001 0.000000547 0.000000311 0.000000000 0.000000000 19996634 3906356183
11 10 0 -4559.0192256106 -0.0000000000 0.000000310 0.000000089 0.000000000 0.000000000 19379798 3906431751
12 11 0 -4559.0192256106 0.0000000000 0.000000084 0.000000021 0.000000000 0.000000000 18857047 3906488402
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0192256106 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.95 TOTAL CPU TIME= 42091.3 ( 701.5 MIN)
TOTAL WALL CLOCK TIME= 7428.1 SECONDS, CPU UTILIZATION IS 566.65%
RHF RI MP2 ENERGY
ESCF= -4559.0192256106
E(2)= -7.6667541587
E(MP2)= -4566.6859797693
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.669655 4.408168 2.237773 14.536129
iFrag= 93 jFrag= 56 EFMOc= -4566.685979769
iFrag= 93 jFrag= 56 EFMOu= -4559.019225611 Tr= 0.000729388
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003075349
--------------------------------------
FINAL EFP ENERGY = -0.0003075349
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.176089 -0.369697 8.173426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.605062 -8.409533 -18.885564 20.985262
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.366607 1.412901 -4.122691 5.506987
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.073404 5.072269 1.689648 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.971668 -6.996632 -23.008255 25.038706
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 66 10 corr= MP2 , LL1= 780 ID= 8363
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 66 10 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0905950754 -4559.0905950754 0.106732259 0.000000000 0.000000000 1.000000000 28132998 3905165100
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0313834646 0.0592116108 0.010111702 0.005053876 0.000000000 0.000000000 26961627 3905632461
3 2 0 -4559.0317142777 -0.0003308131 0.005123175 0.001624560 0.000000000 0.000000000 26368173 3905730723
4 3 0 -4559.0317517247 -0.0000374470 0.001010035 0.000468882 0.000000000 0.000000000 26078051 3905772666
5 4 0 -4559.0317555140 -0.0000037892 0.000412921 0.000196500 0.000000000 0.000000000 25317281 3905866218
6 5 0 -4559.0317559953 -0.0000004814 0.000212223 0.000049597 0.000000000 0.000000000 24662505 3905951552
7 6 0 -4559.0317560465 -0.0000000512 0.000024397 0.000005557 0.000000000 0.000000000 24058801 3906020126
8 7 0 -4559.0317560477 -0.0000000012 0.000009988 0.000002290 0.000000000 0.000000000 22997712 3906117891
9 8 0 -4559.0317560479 -0.0000000002 0.000001709 0.000000762 0.000000000 0.000000000 22624249 3906151504
10 9 0 -4559.0317560478 0.0000000000 0.000000321 0.000000295 0.000000000 0.000000000 21765328 3906240237
11 10 0 -4559.0317560479 -0.0000000000 0.000000214 0.000000055 0.000000000 0.000000000 20921251 3906320921
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 57.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0317560479 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.98 TOTAL CPU TIME= 42654.3 ( 710.9 MIN)
TOTAL WALL CLOCK TIME= 7527.8 SECONDS, CPU UTILIZATION IS 566.63%
RHF RI MP2 ENERGY
ESCF= -4559.0317560479
E(2)= -7.6700784123
E(MP2)= -4566.7018344602
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.919301 -6.951130 -22.828420 24.846161
iFrag= 66 jFrag= 10 EFMOc= -4566.701834460
iFrag= 66 jFrag= 10 EFMOu= -4559.031756048 Tr= 0.000307535
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003588561
--------------------------------------
FINAL EFP ENERGY = -0.0003588561
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.497345 -3.594613 -6.290012 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.036250 -10.940704 -5.983206 12.512856
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-5.132964 2.255139 -1.239886 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.865507 3.612167 2.302357 4.672121
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.182191 -0.669737 -3.764949 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.901757 -7.328537 -3.680849 8.699212
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 131 107 corr= MP2 , LL1= 780 ID= 8491
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 131 107 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0808842076 -4559.0808842076 0.059909329 0.000000000 0.000000000 1.000000000 26787048 3905160865
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0352864781 0.0455977295 0.014416881 0.004157474 0.000000000 0.000000000 25671363 3905705059
3 2 0 -4559.0356483446 -0.0003618665 0.006494293 0.001385826 0.000000000 0.000000000 24849275 3905834566
4 3 0 -4559.0356948836 -0.0000465390 0.001097019 0.000465103 0.000000000 0.000000000 24472204 3905886653
5 4 0 -4559.0356988858 -0.0000040022 0.000468480 0.000178299 0.000000000 0.000000000 23574711 3905990071
6 5 0 -4559.0356995365 -0.0000006508 0.000152329 0.000046204 0.000000000 0.000000000 22843202 3906083973
7 6 0 -4559.0356995936 -0.0000000571 0.000019779 0.000008456 0.000000000 0.000000000 22042401 3906171010
8 7 0 -4559.0356995954 -0.0000000017 0.000011756 0.000003498 0.000000000 0.000000000 21061676 3906262909
9 8 0 -4559.0356995956 -0.0000000002 0.000001846 0.000001251 0.000000000 0.000000000 20706054 3906296429
10 9 0 -4559.0356995956 -0.0000000000 0.000000271 0.000000177 0.000000000 0.000000000 19701391 3906397096
11 10 0 -4559.0356995956 -0.0000000000 0.000000152 0.000000044 0.000000000 0.000000000 18935036 3906463143
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0356995956 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.46 TOTAL CPU TIME= 43216.8 ( 720.3 MIN)
TOTAL WALL CLOCK TIME= 7627.1 SECONDS, CPU UTILIZATION IS 566.62%
RHF RI MP2 ENERGY
ESCF= -4559.0356995956
E(2)= -7.6669326025
E(MP2)= -4566.7026321982
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.842643 -7.434603 -3.544371 8.713008
iFrag= 131 jFrag= 107 EFMOc= -4566.702632198
iFrag= 131 jFrag= 107 EFMOu= -4559.035699596 Tr= 0.000358856
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000819926
--------------------------------------
FINAL EFP ENERGY = -0.0000819926
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.474747 -0.063029 5.667076 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.974410 0.909513 -10.076114 10.545255
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-1.721382 -4.265397 8.574837 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.453780 7.208787 -6.238931 9.844385
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.598064 -2.164213 7.120956 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.520630 8.118301 -16.315045 18.230704
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 132 106 corr= MP2 , LL1= 780 ID= 8620
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 132 106 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0673812465 -4559.0673812465 0.002416508 0.000000000 0.000000000 1.000000000 24590728 3905312444
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0674649545 -0.0000837080 0.000775075 0.000497898 0.000000000 0.000000000 23212929 3905913820
3 2 0 -4559.0674724572 -0.0000075027 0.000587704 0.000189057 0.000000000 0.000000000 22375337 3906044832
4 3 0 -4559.0674738048 -0.0000013476 0.000075993 0.000076584 0.000000000 0.000000000 22008487 3906083711
5 4 0 -4559.0674739020 -0.0000000971 0.000024844 0.000010832 0.000000000 0.000000000 20981773 3906199706
6 5 0 -4559.0674739071 -0.0000000051 0.000013749 0.000004118 0.000000000 0.000000000 20158244 3906301756
7 6 0 -4559.0674739077 -0.0000000006 0.000001236 0.000000692 0.000000000 0.000000000 19459303 3906392162
8 7 0 -4559.0674739077 -0.0000000000 0.000000555 0.000000311 0.000000000 0.000000000 18508621 3906485722
9 8 0 -4559.0674739077 0.0000000000 0.000000238 0.000000119 0.000000000 0.000000000 18019441 3906542165
10 9 0 -4559.0674739077 -0.0000000000 0.000000041 0.000000045 0.000000000 0.000000000 17062730 3906619882
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.6 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0674739077 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 556.52 TOTAL CPU TIME= 43773.3 ( 729.6 MIN)
TOTAL WALL CLOCK TIME= 7725.5 SECONDS, CPU UTILIZATION IS 566.61%
RHF RI MP2 ENERGY
ESCF= -4559.0674739077
E(2)= -7.6629586381
E(MP2)= -4566.7304325458
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.522293 8.120074 -16.315733 18.232156
iFrag= 132 jFrag= 106 EFMOc= -4566.730432546
iFrag= 132 jFrag= 106 EFMOu= -4559.067473908 Tr= 0.000081993
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006104721
--------------------------------------
FINAL EFP ENERGY = -0.0006104721
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.827216 7.775383 -7.613550 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.450112 0.510486 1.742121 1.870343
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.244807 7.791423 -7.922690 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.144759 7.572138 3.217255 10.896586
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.208796 7.783403 -7.768120 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.594871 8.082624 4.959376 12.149333
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 130 87 corr= MP2 , LL1= 780 ID= 8747
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 130 87 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1006389978 -4559.1006389978 0.077198683 0.000000000 0.000000000 1.000000000 30371256 3904687506
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0426311654 0.0580078324 0.011940478 0.005454056 0.000000000 0.000000000 29217441 3905329083
3 2 0 -4559.0432017464 -0.0005705810 0.005604616 0.001742653 0.000000000 0.000000000 28273864 3905495339
4 3 0 -4559.0432723492 -0.0000706028 0.000915295 0.000401436 0.000000000 0.000000000 27729372 3905567820
5 4 0 -4559.0432757335 -0.0000033843 0.000273233 0.000174006 0.000000000 0.000000000 26359592 3905711218
6 5 0 -4559.0432763889 -0.0000006555 0.000087702 0.000028909 0.000000000 0.000000000 25444304 3905831991
7 6 0 -4559.0432764329 -0.0000000439 0.000024044 0.000006151 0.000000000 0.000000000 24582645 3905939766
8 7 0 -4559.0432764350 -0.0000000022 0.000009865 0.000003144 0.000000000 0.000000000 23254819 3906074275
9 8 0 -4559.0432764353 -0.0000000003 0.000002614 0.000001738 0.000000000 0.000000000 22680397 3906140884
10 9 0 -4559.0432764354 -0.0000000000 0.000000484 0.000000382 0.000000000 0.000000000 21515864 3906251102
11 10 0 -4559.0432764354 0.0000000000 0.000000175 0.000000065 0.000000000 0.000000000 20554735 3906328485
12 11 0 -4559.0432764354 0.0000000000 0.000000045 0.000000018 0.000000000 0.000000000 19715810 3906409158
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0432764354 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.57 TOTAL CPU TIME= 44341.9 ( 739.0 MIN)
TOTAL WALL CLOCK TIME= 7826.1 SECONDS, CPU UTILIZATION IS 566.59%
RHF RI MP2 ENERGY
ESCF= -4559.0432764354
E(2)= -7.6705709739
E(MP2)= -4566.7138474093
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.469401 8.084155 4.896310 12.046550
iFrag= 130 jFrag= 87 EFMOc= -4566.713847409
iFrag= 130 jFrag= 87 EFMOu= -4559.043276435 Tr= 0.000610472
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001115051
--------------------------------------
FINAL EFP ENERGY = -0.0001115051
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
10.087630 -5.073490 4.290780 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.925263 11.158027 -4.909297 12.806657
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.724544 0.652670 5.449038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.515596 0.373698 -0.345541 0.724491
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.681543 -2.210410 4.869909 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.440859 11.531725 -5.254838 13.428151
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 134 98 corr= MP2 , LL1= 780 ID= 8875
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 134 98 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0330653557 -4559.0330653557 0.016288564 0.000000000 0.000000000 1.000000000 24638065 3905386117
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0335665121 -0.0005011564 0.003211469 0.001146218 0.000000000 0.000000000 23174382 3905957175
3 2 0 -4559.0335939657 -0.0000274537 0.001077426 0.000309658 0.000000000 0.000000000 22565270 3906060849
4 3 0 -4559.0335967019 -0.0000027362 0.000173755 0.000147292 0.000000000 0.000000000 22274243 3906103916
5 4 0 -4559.0335969354 -0.0000002335 0.000084398 0.000031830 0.000000000 0.000000000 21612569 3906190211
6 5 0 -4559.0335969588 -0.0000000234 0.000014947 0.000005823 0.000000000 0.000000000 20988638 3906271937
7 6 0 -4559.0335969607 -0.0000000019 0.000003869 0.000001500 0.000000000 0.000000000 20567753 3906318700
8 7 0 -4559.0335969608 -0.0000000001 0.000001889 0.000000511 0.000000000 0.000000000 19713530 3906407494
9 8 0 -4559.0335969608 -0.0000000000 0.000000258 0.000000148 0.000000000 0.000000000 19330403 3906440784
10 9 0 -4559.0335969608 0.0000000000 0.000000104 0.000000076 0.000000000 0.000000000 18352052 3906531099
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.6 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0335969608 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 558.09 TOTAL CPU TIME= 44900.0 ( 748.3 MIN)
TOTAL WALL CLOCK TIME= 7924.4 SECONDS, CPU UTILIZATION IS 566.60%
RHF RI MP2 ENERGY
ESCF= -4559.0335969608
E(2)= -7.6640166640
E(MP2)= -4566.6976136248
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.419226 11.536200 -5.258715 13.426375
iFrag= 134 jFrag= 98 EFMOc= -4566.697613625
iFrag= 134 jFrag= 98 EFMOu= -4559.033596961 Tr= 0.000111505
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002241617
--------------------------------------
FINAL EFP ENERGY = -0.0002241617
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.883627 6.665417 -6.270180 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.356624 -5.003593 1.912413 5.368468
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-9.080623 -3.979035 7.753915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.329909 3.303827 -5.185812 12.890878
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.598498 1.343191 0.741868 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.973285 -1.699766 -3.273399 11.576585
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 135 93 corr= MP2 , LL1= 780 ID= 9003
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 135 93 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0527002296 -4559.0527002296 0.031693206 0.000000000 0.000000000 1.000000000 24166089 3905449909
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0514714704 0.0012287592 0.007453136 0.002589659 0.000000000 0.000000000 22927245 3905961084
3 2 0 -4559.0516465253 -0.0001750550 0.003163741 0.000805425 0.000000000 0.000000000 22245549 3906078197
4 3 0 -4559.0516675774 -0.0000210520 0.000694253 0.000394888 0.000000000 0.000000000 21946670 3906119577
5 4 0 -4559.0516694410 -0.0000018636 0.000184323 0.000068693 0.000000000 0.000000000 21170003 3906216222
6 5 0 -4559.0516695602 -0.0000001192 0.000057027 0.000013201 0.000000000 0.000000000 20442235 3906312919
7 6 0 -4559.0516695724 -0.0000000122 0.000014511 0.000003738 0.000000000 0.000000000 20111903 3906350584
8 7 0 -4559.0516695731 -0.0000000006 0.000005212 0.000001464 0.000000000 0.000000000 19322378 3906430773
9 8 0 -4559.0516695731 -0.0000000001 0.000001483 0.000000505 0.000000000 0.000000000 18871746 3906476453
10 9 0 -4559.0516695731 -0.0000000000 0.000000342 0.000000230 0.000000000 0.000000000 18136318 3906542836
11 10 0 -4559.0516695732 -0.0000000000 0.000000082 0.000000035 0.000000000 0.000000000 17700402 3906588398
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0516695732 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 561.85 TOTAL CPU TIME= 45461.8 ( 757.7 MIN)
TOTAL WALL CLOCK TIME= 8024.0 SECONDS, CPU UTILIZATION IS 566.58%
RHF RI MP2 ENERGY
ESCF= -4559.0516695732
E(2)= -7.6656524982
E(MP2)= -4566.7173220714
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.891664 -1.652578 -3.351857 11.514960
iFrag= 135 jFrag= 93 EFMOc= -4566.717322071
iFrag= 135 jFrag= 93 EFMOu= -4559.051669573 Tr= 0.000224162
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002046964
--------------------------------------
FINAL EFP ENERGY = -0.0002046964
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.358304 0.758024 5.456604 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.749646 -6.501080 -3.584447 9.389927
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.818443 4.300672 9.605564 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.637812 -10.288483 5.160744 12.071448
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.088373 2.529348 7.531084 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.111834 -16.789563 1.576297 16.995117
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 92 64 corr= MP2 , LL1= 780 ID= 9131
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 92 64 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0548757549 -4559.0548757549 0.042297506 0.000000000 0.000000000 1.000000000 26722118 3905113799
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0550405497 -0.0001647948 0.009852832 0.002275555 0.000000000 0.000000000 25408009 3905691302
3 2 0 -4559.0551772251 -0.0001366754 0.003632108 0.000664104 0.000000000 0.000000000 24659929 3905826526
4 3 0 -4559.0551901103 -0.0000128853 0.000438422 0.000313238 0.000000000 0.000000000 24266335 3905885647
5 4 0 -4559.0551909418 -0.0000008314 0.000194659 0.000075855 0.000000000 0.000000000 23289567 3905998159
6 5 0 -4559.0551910615 -0.0000001197 0.000061868 0.000015631 0.000000000 0.000000000 22463582 3906105617
7 6 0 -4559.0551910721 -0.0000000107 0.000010201 0.000002791 0.000000000 0.000000000 21831536 3906166867
8 7 0 -4559.0551910726 -0.0000000005 0.000003049 0.000001050 0.000000000 0.000000000 20533667 3906309729
9 8 0 -4559.0551910727 -0.0000000001 0.000001365 0.000000441 0.000000000 0.000000000 19935061 3906363825
10 9 0 -4559.0551910727 -0.0000000000 0.000000403 0.000000184 0.000000000 0.000000000 18877690 3906465497
11 10 0 -4559.0551910727 -0.0000000000 0.000000059 0.000000031 0.000000000 0.000000000 18166472 3906529719
12 11 0 -4559.0551910727 0.0000000000 0.000000000 0.000000010 0.000000000 0.000000000 17385178 3906607587
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 4.7 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0551910727 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 567.50 TOTAL CPU TIME= 46029.3 ( 767.2 MIN)
TOTAL WALL CLOCK TIME= 8124.1 SECONDS, CPU UTILIZATION IS 566.57%
RHF RI MP2 ENERGY
ESCF= -4559.0551910727
E(2)= -7.6645129466
E(MP2)= -4566.7197040193
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.060376 -16.812454 1.543685 17.008431
iFrag= 92 jFrag= 64 EFMOc= -4566.719704019
iFrag= 92 jFrag= 64 EFMOu= -4559.055191073 Tr= 0.000204696
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002713849
--------------------------------------
FINAL EFP ENERGY = -0.0002713849
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.772093 2.850854 -5.624585 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.338046 11.561969 -18.027967 21.419641
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
8.125845 -5.876906 -6.938273 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.046172 3.672190 -0.668482 4.256603
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.676876 -1.513026 -6.281429 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.384219 15.234159 -18.696450 24.234714
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 137 81 corr= MP2 , LL1= 780 ID= 9260
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 137 81 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0450440776 -4559.0450440776 0.077905280 0.000000000 0.000000000 1.000000000 31546371 3904588795
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0456589066 -0.0006148289 0.018915402 0.004182519 0.000000000 0.000000000 30568773 3905192019
3 2 0 -4559.0460012171 -0.0003423105 0.008165463 0.001287804 0.000000000 0.000000000 29468214 3905375906
4 3 0 -4559.0460335243 -0.0000323073 0.000810854 0.000495647 0.000000000 0.000000000 28833789 3905458271
5 4 0 -4559.0460364010 -0.0000028766 0.000301355 0.000155179 0.000000000 0.000000000 27571811 3905607493
6 5 0 -4559.0460367096 -0.0000003087 0.000144518 0.000038760 0.000000000 0.000000000 26511108 3905757580
7 6 0 -4559.0460367458 -0.0000000362 0.000030163 0.000006962 0.000000000 0.000000000 25928840 3905818379
8 7 0 -4559.0460367474 -0.0000000016 0.000012830 0.000003119 0.000000000 0.000000000 24518344 3905969100
9 8 0 -4559.0460367476 -0.0000000002 0.000002295 0.000001328 0.000000000 0.000000000 23875447 3906039771
10 9 0 -4559.0460367477 -0.0000000000 0.000000193 0.000000190 0.000000000 0.000000000 22798376 3906141199
11 10 0 -4559.0460367477 0.0000000000 0.000000087 0.000000039 0.000000000 0.000000000 21674462 3906244897
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.4 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0460367477 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.23 TOTAL CPU TIME= 46592.5 ( 776.5 MIN)
TOTAL WALL CLOCK TIME= 8223.5 SECONDS, CPU UTILIZATION IS 566.58%
RHF RI MP2 ENERGY
ESCF= -4559.0460367477
E(2)= -7.6700229503
E(MP2)= -4566.7160596980
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.394738 15.141984 -18.840591 24.289552
iFrag= 137 jFrag= 81 EFMOc= -4566.716059698
iFrag= 137 jFrag= 81 EFMOu= -4559.046036748 Tr= 0.000271385
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001520289
--------------------------------------
FINAL EFP ENERGY = -0.0001520289
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.827216 7.775383 -7.613550 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.654950 0.545793 1.630432 1.839880
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.617409 -2.585455 5.704954 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.553944 -2.007257 -2.794403 11.100608
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.895097 2.594964 -0.954298 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.208894 -1.461463 -1.163971 11.363538
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 130 53 corr= MP2 , LL1= 780 ID= 9387
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 130 53 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0258243106 -4559.0258243106 0.008080506 0.000000000 0.000000000 1.000000000 23544837 3905490880
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0261586706 -0.0003343600 0.001369032 0.000903777 0.000000000 0.000000000 22423035 3906027490
3 2 0 -4559.0261786975 -0.0000200269 0.000624575 0.000292729 0.000000000 0.000000000 21810120 3906128386
4 3 0 -4559.0261814514 -0.0000027539 0.000161130 0.000114005 0.000000000 0.000000000 21533848 3906163064
5 4 0 -4559.0261817458 -0.0000002943 0.000047330 0.000024438 0.000000000 0.000000000 20712473 3906255901
6 5 0 -4559.0261817652 -0.0000000194 0.000017937 0.000007931 0.000000000 0.000000000 20270348 3906316396
7 6 0 -4559.0261817670 -0.0000000018 0.000003262 0.000001418 0.000000000 0.000000000 19696218 3906398089
8 7 0 -4559.0261817671 -0.0000000001 0.000001224 0.000000496 0.000000000 0.000000000 19128831 3906456787
9 8 0 -4559.0261817671 -0.0000000000 0.000000439 0.000000185 0.000000000 0.000000000 18669871 3906506684
10 9 0 -4559.0261817671 0.0000000000 0.000000118 0.000000086 0.000000000 0.000000000 17732780 3906584857
11 10 0 -4559.0261817671 -0.0000000000 0.000000024 0.000000016 0.000000000 0.000000000 17345776 3906619944
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0261817671 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.49 TOTAL CPU TIME= 47155.0 ( 785.9 MIN)
TOTAL WALL CLOCK TIME= 8322.9 SECONDS, CPU UTILIZATION IS 566.57%
RHF RI MP2 ENERGY
ESCF= -4559.0261817671
E(2)= -7.6649047624
E(MP2)= -4566.6910865295
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.210399 -1.460228 -1.167977 11.365275
iFrag= 130 jFrag= 53 EFMOc= -4566.691086530
iFrag= 130 jFrag= 53 EFMOu= -4559.026181767 Tr= 0.000152029
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002668073
--------------------------------------
FINAL EFP ENERGY = -0.0002668073
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-1.827216 7.775383 -7.613550 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.687647 0.532318 1.618017 1.836900
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.697055 -0.959175 -2.153788 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.007861 -1.838537 16.300617 17.838174
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.262136 3.408104 -4.883669 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.695508 -1.306219 17.918634 19.544936
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 130 45 corr= MP2 , LL1= 780 ID= 9515
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 130 45 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0556747742 -4559.0556747742 0.043881921 0.000000000 0.000000000 1.000000000 28000941 3904823911
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0482326042 0.0074421700 0.008628840 0.003226026 0.000000000 0.000000000 26829615 3905480070
3 2 0 -4559.0484699438 -0.0002373396 0.004038070 0.001077109 0.000000000 0.000000000 25809357 3905662627
4 3 0 -4559.0484960890 -0.0000261452 0.000566698 0.000386778 0.000000000 0.000000000 25294604 3905735550
5 4 0 -4559.0484986020 -0.0000025130 0.000225207 0.000083278 0.000000000 0.000000000 24032322 3905893017
6 5 0 -4559.0484987975 -0.0000001955 0.000080414 0.000018394 0.000000000 0.000000000 22942313 3906038377
7 6 0 -4559.0484988185 -0.0000000210 0.000013777 0.000003923 0.000000000 0.000000000 22278508 3906106447
8 7 0 -4559.0484988193 -0.0000000008 0.000005957 0.000002063 0.000000000 0.000000000 20911754 3906245360
9 8 0 -4559.0484988195 -0.0000000002 0.000001481 0.000000953 0.000000000 0.000000000 20340383 3906311269
10 9 0 -4559.0484988195 -0.0000000000 0.000000325 0.000000260 0.000000000 0.000000000 19148674 3906419457
11 10 0 -4559.0484988195 0.0000000000 0.000000156 0.000000039 0.000000000 0.000000000 18288527 3906498284
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0484988195 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.19 TOTAL CPU TIME= 47718.2 ( 795.3 MIN)
TOTAL WALL CLOCK TIME= 8422.4 SECONDS, CPU UTILIZATION IS 566.56%
RHF RI MP2 ENERGY
ESCF= -4559.0484988195
E(2)= -7.6660433904
E(MP2)= -4566.7145422099
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.696170 -1.411925 18.010973 19.637202
iFrag= 130 jFrag= 45 EFMOc= -4566.714542210
iFrag= 130 jFrag= 45 EFMOu= -4559.048498820 Tr= 0.000266807
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005344539
--------------------------------------
FINAL EFP ENERGY = -0.0005344539
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.944260 4.900223 -5.523049 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.889520 0.766422 7.129610 7.415458
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
10.577144 -1.867239 -5.914108 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.823238 -1.508707 9.557758 13.094902
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.760702 1.516492 -5.718578 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.712759 -0.742285 16.687367 19.843951
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 140 52 corr= MP2 , LL1= 780 ID= 9642
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 140 52 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1077613972 -4559.1077613972 0.083468680 0.000000000 0.000000000 1.000000000 28838987 3904846349
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0333903684 0.0743710287 0.012530840 0.003768339 0.000000000 0.000000000 28071455 3905412294
3 2 0 -4559.0340204988 -0.0006301304 0.004714262 0.001168883 0.000000000 0.000000000 27305856 3905562132
4 3 0 -4559.0340871367 -0.0000666378 0.000929992 0.000554420 0.000000000 0.000000000 26870900 3905628745
5 4 0 -4559.0340928271 -0.0000056905 0.000325493 0.000140738 0.000000000 0.000000000 25825321 3905752839
6 5 0 -4559.0340934792 -0.0000006520 0.000204245 0.000041661 0.000000000 0.000000000 24972592 3905872852
7 6 0 -4559.0340935551 -0.0000000759 0.000037396 0.000010768 0.000000000 0.000000000 24445603 3905936424
8 7 0 -4559.0340935581 -0.0000000030 0.000010575 0.000002694 0.000000000 0.000000000 23198148 3906071813
9 8 0 -4559.0340935585 -0.0000000004 0.000002398 0.000001279 0.000000000 0.000000000 22700724 3906125717
10 9 0 -4559.0340935585 -0.0000000000 0.000000576 0.000000410 0.000000000 0.000000000 21793159 3906215259
11 10 0 -4559.0340935585 -0.0000000000 0.000000325 0.000000098 0.000000000 0.000000000 21064951 3906290283
12 11 0 -4559.0340935586 -0.0000000000 0.000000086 0.000000019 0.000000000 0.000000000 20471865 3906354705
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.3 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0340935586 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.00 TOTAL CPU TIME= 48286.2 ( 804.8 MIN)
TOTAL WALL CLOCK TIME= 8522.8 SECONDS, CPU UTILIZATION IS 566.55%
RHF RI MP2 ENERGY
ESCF= -4559.0340935586
E(2)= -7.6695367356
E(MP2)= -4566.7036302942
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.718499 -0.652299 16.641915 19.805682
iFrag= 140 jFrag= 52 EFMOc= -4566.703630294
iFrag= 140 jFrag= 52 EFMOu= -4559.034093559 Tr= 0.000534454
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005642820
--------------------------------------
FINAL EFP ENERGY = -0.0005642820
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
7.192852 -2.760140 -1.931506 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.681582 3.567545 10.406950 13.417849
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
7.905276 1.654618 -8.566142 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.538315 -0.577438 -6.629684 20.640540
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
7.549064 -0.552761 -5.248824 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
27.219897 2.990107 3.777266 27.642924
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 141 41 corr= MP2 , LL1= 780 ID= 9770
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 141 41 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0595650093 -4559.0595650093 0.066724817 0.000000000 0.000000000 1.000000000 28298639 3904948087
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0511308534 0.0084341560 0.016845313 0.005774982 0.000000000 0.000000000 27769468 3905446340
3 2 0 -4559.0517982030 -0.0006673496 0.007827613 0.002018372 0.000000000 0.000000000 27085718 3905588862
4 3 0 -4559.0518824088 -0.0000842058 0.000885805 0.000653184 0.000000000 0.000000000 26727375 3905648226
5 4 0 -4559.0518883135 -0.0000059047 0.000372008 0.000190604 0.000000000 0.000000000 25835704 3905775884
6 5 0 -4559.0518890510 -0.0000007374 0.000089874 0.000040499 0.000000000 0.000000000 25091685 3905884825
7 6 0 -4559.0518891136 -0.0000000626 0.000028332 0.000008484 0.000000000 0.000000000 24507145 3905960667
8 7 0 -4559.0518891169 -0.0000000033 0.000014176 0.000004441 0.000000000 0.000000000 23369695 3906073811
9 8 0 -4559.0518891174 -0.0000000005 0.000002098 0.000001982 0.000000000 0.000000000 22806220 3906138427
10 9 0 -4559.0518891174 -0.0000000001 0.000000516 0.000000212 0.000000000 0.000000000 21741753 3906237355
11 10 0 -4559.0518891174 0.0000000000 0.000000127 0.000000050 0.000000000 0.000000000 21009588 3906312435
12 11 0 -4559.0518891174 0.0000000000 0.000000036 0.000000021 0.000000000 0.000000000 20406342 3906384688
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.3 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0518891174 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.29 TOTAL CPU TIME= 48854.5 ( 814.2 MIN)
TOTAL WALL CLOCK TIME= 8623.4 SECONDS, CPU UTILIZATION IS 566.54%
RHF RI MP2 ENERGY
ESCF= -4559.0518891174
E(2)= -7.6716253766
E(MP2)= -4566.7235144940
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
27.550022 2.934136 3.866609 27.974337
iFrag= 141 jFrag= 41 EFMOc= -4566.723514494
iFrag= 141 jFrag= 41 EFMOu= -4559.051889117 Tr= 0.000564282
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0004535380
--------------------------------------
FINAL EFP ENERGY = -0.0004535380
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.621692 -1.227531 -3.670444 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.082759 -1.201382 -5.990808 6.205278
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.742987 4.020105 0.040641 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.446826 -3.519817 2.682506 14.156344
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.182340 1.396287 -1.814901 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.364066 -4.721199 -3.308303 13.642021
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 142 29 corr= MP2 , LL1= 780 ID= 9898
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 142 29 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1075705671 -4559.1075705671 0.059173465 0.000000000 0.000000000 1.000000000 29571219 3904992204
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0689107362 0.0386598309 0.013195532 0.006253140 0.000000000 0.000000000 28401978 3905479196
3 2 0 -4559.0697241782 -0.0008134420 0.007163911 0.002160831 0.000000000 0.000000000 27751849 3905591936
4 3 0 -4559.0698563113 -0.0001321332 0.001044549 0.000755220 0.000000000 0.000000000 27492750 3905628078
5 4 0 -4559.0698680792 -0.0000117679 0.000307854 0.000124090 0.000000000 0.000000000 26592815 3905737269
6 5 0 -4559.0698688225 -0.0000007433 0.000159660 0.000039672 0.000000000 0.000000000 25842364 3905835767
7 6 0 -4559.0698688948 -0.0000000723 0.000024196 0.000007761 0.000000000 0.000000000 25090986 3905921415
8 7 0 -4559.0698688970 -0.0000000022 0.000010712 0.000003841 0.000000000 0.000000000 24147245 3906019885
9 8 0 -4559.0698688974 -0.0000000004 0.000001704 0.000000901 0.000000000 0.000000000 23629811 3906075016
10 9 0 -4559.0698688974 -0.0000000000 0.000000408 0.000000175 0.000000000 0.000000000 22333610 3906205557
11 10 0 -4559.0698688974 -0.0000000000 0.000000131 0.000000063 0.000000000 0.000000000 21743850 3906274874
12 11 0 -4559.0698688974 0.0000000000 0.000000042 0.000000028 0.000000000 0.000000000 20959277 3906350794
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.6 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -4559.0698688974 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.55 TOTAL CPU TIME= 49423.1 ( 823.7 MIN)
TOTAL WALL CLOCK TIME= 8723.8 SECONDS, CPU UTILIZATION IS 566.53%
RHF RI MP2 ENERGY
ESCF= -4559.0698688974
E(2)= -7.6714847004
E(MP2)= -4566.7413535978
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.534041 -4.746957 -3.409183 13.829618
iFrag= 142 jFrag= 29 EFMOc= -4566.741353598
iFrag= 142 jFrag= 29 EFMOu= -4559.069868897 Tr= 0.000453538
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001667697
--------------------------------------
FINAL EFP ENERGY = -0.0001667697
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.435440 5.232913 0.190960 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.575999 -3.205024 5.597396 6.475708
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.772929 -0.343911 2.350119 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.959968 7.780517 8.036329 15.660138
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.168745 2.444501 1.270539 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.383968 4.575493 13.633725 17.738106
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 143 22 corr= MP2 , LL1= 780 ID= 10032
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 143 22 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0340116015 -4559.0340116015 0.039690626 0.000000000 0.000000000 1.000000000 26105359 3905282786
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0353260025 -0.0013144010 0.008223170 0.001978155 0.000000000 0.000000000 24911205 3905795211
3 2 0 -4559.0354158194 -0.0000898170 0.003091860 0.000693376 0.000000000 0.000000000 24251340 3905905943
4 3 0 -4559.0354242619 -0.0000084424 0.000434163 0.000246778 0.000000000 0.000000000 23889168 3905953419
5 4 0 -4559.0354253341 -0.0000010722 0.000189467 0.000065476 0.000000000 0.000000000 23060616 3906058049
6 5 0 -4559.0354254139 -0.0000000798 0.000074952 0.000015439 0.000000000 0.000000000 22422764 3906147461
7 6 0 -4559.0354254251 -0.0000000113 0.000006759 0.000003206 0.000000000 0.000000000 21958353 3906194180
8 7 0 -4559.0354254254 -0.0000000003 0.000004109 0.000001293 0.000000000 0.000000000 20621842 3906327599
9 8 0 -4559.0354254255 -0.0000000001 0.000000874 0.000000571 0.000000000 0.000000000 20356603 3906354328
10 9 0 -4559.0354254255 -0.0000000000 0.000000145 0.000000106 0.000000000 0.000000000 19416061 3906444338
11 10 0 -4559.0354254255 0.0000000000 0.000000082 0.000000028 0.000000000 0.000000000 18531713 3906526266
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0354254255 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.77 TOTAL CPU TIME= 49985.8 ( 833.1 MIN)
TOTAL WALL CLOCK TIME= 8823.2 SECONDS, CPU UTILIZATION IS 566.53%
RHF RI MP2 ENERGY
ESCF= -4559.0354254255
E(2)= -7.6660124799
E(MP2)= -4566.7014379054
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.374121 4.564849 13.571445 17.681753
iFrag= 143 jFrag= 22 EFMOc= -4566.701437905
iFrag= 143 jFrag= 22 EFMOu= -4559.035425425 Tr= 0.000166770
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005359526
--------------------------------------
FINAL EFP ENERGY = -0.0005359526
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.752195 4.474526 1.415069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.492190 7.165597 -3.667250 13.224241
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.680179 10.062179 -1.403000 10.182264
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.359061 2.385377 -0.360974 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.172369 17.227776 -5.070250 21.150072
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 144 8 corr= MP2 , LL1= 780 ID= 10160
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 144 8 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0833003992 -4559.0833003992 0.053780522 0.000000000 0.000000000 1.000000000 28558376 3904981510
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0343995172 0.0489008820 0.011535379 0.003394611 0.000000000 0.000000000 27942446 3905442257
3 2 0 -4559.0349165555 -0.0005170384 0.005319366 0.001350761 0.000000000 0.000000000 27037909 3905595793
4 3 0 -4559.0349945944 -0.0000780389 0.001120701 0.000701592 0.000000000 0.000000000 26652278 3905647896
5 4 0 -4559.0350025655 -0.0000079712 0.000452245 0.000156880 0.000000000 0.000000000 25591808 3905782051
6 5 0 -4559.0350032634 -0.0000006978 0.000104633 0.000038713 0.000000000 0.000000000 24916532 3905877050
7 6 0 -4559.0350033092 -0.0000000458 0.000027753 0.000009452 0.000000000 0.000000000 23784993 3906012297
8 7 0 -4559.0350033117 -0.0000000025 0.000008728 0.000003864 0.000000000 0.000000000 23100748 3906082625
9 8 0 -4559.0350033122 -0.0000000005 0.000002610 0.000001080 0.000000000 0.000000000 22448311 3906153874
10 9 0 -4559.0350033122 -0.0000000000 0.000000732 0.000000209 0.000000000 0.000000000 21261120 3906257961
11 10 0 -4559.0350033122 -0.0000000000 0.000000180 0.000000084 0.000000000 0.000000000 20547930 3906331589
12 11 0 -4559.0350033122 0.0000000000 0.000000042 0.000000030 0.000000000 0.000000000 19665796 3906422655
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.2 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0350033122 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.92 TOTAL CPU TIME= 50554.8 ( 842.6 MIN)
TOTAL WALL CLOCK TIME= 8923.7 SECONDS, CPU UTILIZATION IS 566.53%
RHF RI MP2 ENERGY
ESCF= -4559.0350033122
E(2)= -7.6685659092
E(MP2)= -4566.7035692213
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.078344 17.011830 -5.153182 20.944865
iFrag= 144 jFrag= 8 EFMOc= -4566.703569221
iFrag= 144 jFrag= 8 EFMOu= -4559.035003312 Tr= 0.000535953
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0005880951
--------------------------------------
FINAL EFP ENERGY = -0.0005880951
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.752195 4.474526 1.415069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.398361 7.284347 -3.627543 13.204040
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
0.874082 7.875525 1.145546 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.432047 -17.833341 3.844341 18.248114
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.939057 6.175026 1.280307 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.830408 -10.548994 0.216798 15.120384
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 144 138 corr= MP2 , LL1= 780 ID= 10290
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 144 138 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0700503694 -4559.0700503694 0.087001099 0.000000000 0.000000000 1.000000000 26338883 3905142054
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0205172217 0.0495331478 0.011326684 0.004707965 0.000000000 0.000000000 25506634 3905693019
3 2 0 -4559.0212018253 -0.0006846036 0.005402775 0.001312074 0.000000000 0.000000000 24872672 3905824468
4 3 0 -4559.0212883514 -0.0000865261 0.001321168 0.000577345 0.000000000 0.000000000 24614144 3905865518
5 4 0 -4559.0212976911 -0.0000093397 0.000319788 0.000160102 0.000000000 0.000000000 23813700 3905967933
6 5 0 -4559.0212985637 -0.0000008726 0.000201461 0.000054597 0.000000000 0.000000000 23181510 3906055519
7 6 0 -4559.0212986621 -0.0000000984 0.000022568 0.000009480 0.000000000 0.000000000 22690125 3906117786
8 7 0 -4559.0212986649 -0.0000000028 0.000013774 0.000005183 0.000000000 0.000000000 21734992 3906210651
9 8 0 -4559.0212986654 -0.0000000005 0.000001944 0.000001070 0.000000000 0.000000000 21478854 3906235808
10 9 0 -4559.0212986654 0.0000000000 0.000000320 0.000000159 0.000000000 0.000000000 20772181 3906308707
11 10 0 -4559.0212986654 0.0000000000 0.000000188 0.000000058 0.000000000 0.000000000 20176880 3906359986
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.1 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0212986654 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.32 TOTAL CPU TIME= 51118.1 ( 852.0 MIN)
TOTAL WALL CLOCK TIME= 9023.1 SECONDS, CPU UTILIZATION IS 566.53%
RHF RI MP2 ENERGY
ESCF= -4559.0212986654
E(2)= -7.6716905496
E(MP2)= -4566.6929892150
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.749127 -10.548000 0.109710 15.060414
iFrag= 144 jFrag= 138 EFMOc= -4566.692989215
iFrag= 144 jFrag= 138 EFMOu= -4559.021298665 Tr= 0.000588095
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002072518
--------------------------------------
FINAL EFP ENERGY = -0.0002072518
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
1.744833 -7.553885 -0.220732 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.400177 -8.715108 -13.679779 16.396656
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
1.779067 2.914368 -4.471235 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.768143 -5.684448 4.622660 9.974452
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.761950 -2.319759 -2.345984 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.168320 -14.399557 -9.057119 19.324511
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 145 124 corr= MP2 , LL1= 780 ID= 10419
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 145 124 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0719593431 -4559.0719593431 0.032959964 0.000000000 0.000000000 1.000000000 23813259 3905511138
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0695696515 0.0023896915 0.007754688 0.002797294 0.000000000 0.000000000 22692011 3906004867
3 2 0 -4559.0697297308 -0.0001600793 0.004937093 0.001067354 0.000000000 0.000000000 22243822 3906089345
4 3 0 -4559.0697540225 -0.0000242916 0.000722176 0.000602113 0.000000000 0.000000000 22054476 3906116184
5 4 0 -4559.0697560944 -0.0000020719 0.000178921 0.000093405 0.000000000 0.000000000 21421247 3906188860
6 5 0 -4559.0697561756 -0.0000000812 0.000069879 0.000018542 0.000000000 0.000000000 20715304 3906276676
7 6 0 -4559.0697561827 -0.0000000071 0.000009804 0.000004476 0.000000000 0.000000000 20321768 3906318687
8 7 0 -4559.0697561829 -0.0000000002 0.000003714 0.000001654 0.000000000 0.000000000 19678274 3906381371
9 8 0 -4559.0697561830 -0.0000000000 0.000000828 0.000000494 0.000000000 0.000000000 19367360 3906416368
10 9 0 -4559.0697561830 -0.0000000000 0.000000266 0.000000105 0.000000000 0.000000000 18668591 3906492719
11 10 0 -4559.0697561830 -0.0000000000 0.000000098 0.000000027 0.000000000 0.000000000 18433903 3906531836
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0697561830 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.16 TOTAL CPU TIME= 51680.2 ( 861.3 MIN)
TOTAL WALL CLOCK TIME= 9122.3 SECONDS, CPU UTILIZATION IS 566.52%
RHF RI MP2 ENERGY
ESCF= -4559.0697561830
E(2)= -7.6677714631
E(MP2)= -4566.7375276461
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.199366 -14.450973 -8.851528 19.282336
iFrag= 145 jFrag= 124 EFMOc= -4566.737527646
iFrag= 145 jFrag= 124 EFMOu= -4559.069756183 Tr= 0.000207252
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003433276
--------------------------------------
FINAL EFP ENERGY = -0.0003433276
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-9.024754 3.420470 -1.079445 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.337760 -6.557223 -2.736194 7.113228
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-1.721382 -4.265397 8.574837 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.411889 7.143102 -6.190693 9.755296
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.373068 -0.422463 3.747696 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.074129 0.585879 -8.926887 9.183386
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 146 106 corr= MP2 , LL1= 780 ID= 10545
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 146 106 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0907652661 -4559.0907652661 0.044261464 0.000000000 0.000000000 1.000000000 24251306 3905482132
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0556573681 0.0351078981 0.007171156 0.003125389 0.000000000 0.000000000 23498611 3905899793
3 2 0 -4559.0560059039 -0.0003485358 0.004119153 0.001081383 0.000000000 0.000000000 22883480 3906005008
4 3 0 -4559.0560568984 -0.0000509946 0.000665781 0.000474641 0.000000000 0.000000000 22566358 3906041875
5 4 0 -4559.0560621165 -0.0000052181 0.000246555 0.000106423 0.000000000 0.000000000 21704164 3906142495
6 5 0 -4559.0560624952 -0.0000003787 0.000134959 0.000037073 0.000000000 0.000000000 21142692 3906219530
7 6 0 -4559.0560625401 -0.0000000449 0.000015703 0.000005410 0.000000000 0.000000000 20630057 3906291133
8 7 0 -4559.0560625415 -0.0000000014 0.000005683 0.000002173 0.000000000 0.000000000 19977491 3906352657
9 8 0 -4559.0560625417 -0.0000000002 0.000001943 0.000001199 0.000000000 0.000000000 19607653 3906391464
10 9 0 -4559.0560625417 -0.0000000000 0.000000356 0.000000139 0.000000000 0.000000000 18896306 3906462592
11 10 0 -4559.0560625417 -0.0000000000 0.000000209 0.000000047 0.000000000 0.000000000 18355654 3906519834
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0560625417 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.15 TOTAL CPU TIME= 52243.4 ( 870.7 MIN)
TOTAL WALL CLOCK TIME= 9221.7 SECONDS, CPU UTILIZATION IS 566.53%
RHF RI MP2 ENERGY
ESCF= -4559.0560625417
E(2)= -7.6664578372
E(MP2)= -4566.7225203789
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.946908 0.516664 -8.838985 9.065597
iFrag= 146 jFrag= 106 EFMOc= -4566.722520379
iFrag= 146 jFrag= 106 EFMOu= -4559.056062542 Tr= 0.000343328
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001486063
--------------------------------------
FINAL EFP ENERGY = -0.0001486063
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.808047 10.191823 -1.641130 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.907245 2.664654 -0.882448 14.187691
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.030975 -0.997623 4.857671 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.647069 10.116993 11.920181 21.423839
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.419511 4.597100 1.608270 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.739824 12.781646 11.037732 16.904122
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 147 88 corr= MP2 , LL1= 780 ID= 10672
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 147 88 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0449565927 -4559.0449565927 0.006565693 0.000000000 0.000000000 1.000000000 21413566 3905708610
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0452151746 -0.0002585819 0.001237911 0.000946254 0.000000000 0.000000000 20275692 3906184794
3 2 0 -4559.0452324002 -0.0000172256 0.000589098 0.000320271 0.000000000 0.000000000 19654361 3906283613
4 3 0 -4559.0452351283 -0.0000027281 0.000158689 0.000108367 0.000000000 0.000000000 19447125 3906314474
5 4 0 -4559.0452353369 -0.0000002086 0.000040601 0.000023473 0.000000000 0.000000000 18790536 3906405701
6 5 0 -4559.0452353502 -0.0000000133 0.000013054 0.000005740 0.000000000 0.000000000 18401529 3906463644
7 6 0 -4559.0452353512 -0.0000000009 0.000002701 0.000001188 0.000000000 0.000000000 17732796 3906546416
8 7 0 -4559.0452353513 -0.0000000001 0.000000706 0.000000414 0.000000000 0.000000000 17256543 3906581809
9 8 0 -4559.0452353513 0.0000000000 0.000000284 0.000000150 0.000000000 0.000000000 16705078 3906633309
10 9 0 -4559.0452353512 0.0000000000 0.000000080 0.000000066 0.000000000 0.000000000 16178287 3906690561
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0452353512 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 556.88 TOTAL CPU TIME= 52800.3 ( 880.0 MIN)
TOTAL WALL CLOCK TIME= 9320.1 SECONDS, CPU UTILIZATION IS 566.52%
RHF RI MP2 ENERGY
ESCF= -4559.0452353512
E(2)= -7.6633102405
E(MP2)= -4566.7085455917
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.741080 12.777112 11.035414 16.899235
iFrag= 147 jFrag= 88 EFMOc= -4566.708545592
iFrag= 147 jFrag= 88 EFMOu= -4559.045235351 Tr= 0.000148606
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002435678
--------------------------------------
FINAL EFP ENERGY = -0.0002435678
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-7.293070 -12.097248 3.749890 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.689636 -8.422272 -13.260747 16.394352
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.018125 -6.806343 -9.052595 13.324033
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.013065 -11.153185 5.256846 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.328489 -15.228615 -22.313342 27.114900
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 148 70 corr= MP2 , LL1= 780 ID= 10800
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 148 70 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0723225779 -4559.0723225779 0.032128616 0.000000000 0.000000000 1.000000000 27744800 3905045949
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0690555872 0.0032669907 0.006635736 0.002175037 0.000000000 0.000000000 26464727 3905613099
3 2 0 -4559.0691707853 -0.0001151980 0.004434534 0.000893680 0.000000000 0.000000000 25546446 3905748806
4 3 0 -4559.0691886636 -0.0000178784 0.000562329 0.000415457 0.000000000 0.000000000 25190675 3905794859
5 4 0 -4559.0691903695 -0.0000017059 0.000145355 0.000081979 0.000000000 0.000000000 24191028 3905913977
6 5 0 -4559.0691904708 -0.0000001013 0.000089845 0.000023243 0.000000000 0.000000000 23372180 3906022094
7 6 0 -4559.0691904830 -0.0000000122 0.000015447 0.000005133 0.000000000 0.000000000 22638305 3906120494
8 7 0 -4559.0691904834 -0.0000000004 0.000005473 0.000001590 0.000000000 0.000000000 21752316 3906216745
9 8 0 -4559.0691904835 -0.0000000001 0.000001202 0.000000641 0.000000000 0.000000000 21249133 3906267412
10 9 0 -4559.0691904835 -0.0000000000 0.000000227 0.000000096 0.000000000 0.000000000 19985831 3906364772
11 10 0 -4559.0691904835 0.0000000000 0.000000125 0.000000029 0.000000000 0.000000000 19204051 3906443570
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.2 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0691904835 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.25 TOTAL CPU TIME= 53363.5 ( 889.4 MIN)
TOTAL WALL CLOCK TIME= 9419.6 SECONDS, CPU UTILIZATION IS 566.51%
RHF RI MP2 ENERGY
ESCF= -4559.0691904835
E(2)= -7.6681692781
E(MP2)= -4566.7373597616
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.339528 -15.173050 -22.416268 27.169541
iFrag= 148 jFrag= 70 EFMOc= -4566.737359762
iFrag= 148 jFrag= 70 EFMOu= -4559.069190483 Tr= 0.000243568
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0006249856
--------------------------------------
FINAL EFP ENERGY = -0.0006249856
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
2.881959 -5.440817 -1.987756 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.924729 -7.609506 13.490177 15.762090
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.995881 3.457906 10.866771 12.083497
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
6.161251 -4.090273 -3.282685 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.920611 -4.151600 24.356948 25.659142
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 149 51 corr= MP2 , LL1= 780 ID= 10928
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 149 51 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1076368546 -4559.1076368546 0.045418246 0.000000000 0.000000000 1.000000000 23542016 3905478130
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0553066525 0.0523302020 0.012697442 0.006920917 0.000000000 0.000000000 22829175 3905935542
3 2 0 -4559.0559938893 -0.0006872367 0.007016956 0.002321297 0.000000000 0.000000000 22254757 3906040451
4 3 0 -4559.0561118589 -0.0001179696 0.001237199 0.000900188 0.000000000 0.000000000 22036061 3906072676
5 4 0 -4559.0561218176 -0.0000099587 0.000344127 0.000188091 0.000000000 0.000000000 21300859 3906169303
6 5 0 -4559.0561225559 -0.0000007383 0.000124324 0.000055518 0.000000000 0.000000000 20744457 3906247430
7 6 0 -4559.0561226219 -0.0000000659 0.000026297 0.000011472 0.000000000 0.000000000 20066420 3906329738
8 7 0 -4559.0561226248 -0.0000000029 0.000010725 0.000004797 0.000000000 0.000000000 19589189 3906381006
9 8 0 -4559.0561226252 -0.0000000004 0.000001763 0.000001394 0.000000000 0.000000000 19180692 3906423463
10 9 0 -4559.0561226252 0.0000000000 0.000000354 0.000000214 0.000000000 0.000000000 18527907 3906484340
11 10 0 -4559.0561226252 -0.0000000000 0.000000173 0.000000066 0.000000000 0.000000000 18098145 3906528195
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0561226252 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.91 TOTAL CPU TIME= 53926.4 ( 898.8 MIN)
TOTAL WALL CLOCK TIME= 9519.0 SECONDS, CPU UTILIZATION IS 566.51%
RHF RI MP2 ENERGY
ESCF= -4559.0561226252
E(2)= -7.6661021167
E(MP2)= -4566.7222247420
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.838713 -4.294544 24.318946 25.624642
iFrag= 149 jFrag= 51 EFMOc= -4566.722224742
iFrag= 149 jFrag= 51 EFMOu= -4559.056122625 Tr= 0.000624986
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003033251
--------------------------------------
FINAL EFP ENERGY = -0.0003033251
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-4.412477 3.498671 2.739078 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.434637 17.936516 4.068459 18.552586
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.648810 10.418020 -2.404061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.962481 -1.097446 6.747303 7.112090
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.381834 6.958346 0.167508 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.472157 16.839070 10.815762 20.018939
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 150 31 corr= MP2 , LL1= 780 ID= 11056
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 150 31 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0553560298 -4559.0553560298 0.041504943 0.000000000 0.000000000 1.000000000 25409037 3905175212
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0509198219 0.0044362079 0.012145240 0.004047658 0.000000000 0.000000000 24133049 3905800564
3 2 0 -4559.0511398089 -0.0002199870 0.005999734 0.001398780 0.000000000 0.000000000 23405983 3905927945
4 3 0 -4559.0511666058 -0.0000267969 0.000585457 0.000415667 0.000000000 0.000000000 23094686 3905972974
5 4 0 -4559.0511688270 -0.0000022212 0.000244845 0.000112870 0.000000000 0.000000000 22324839 3906071703
6 5 0 -4559.0511690005 -0.0000001735 0.000062104 0.000021731 0.000000000 0.000000000 21577166 3906173504
7 6 0 -4559.0511690139 -0.0000000134 0.000015426 0.000004863 0.000000000 0.000000000 20951984 3906235533
8 7 0 -4559.0511690146 -0.0000000006 0.000007076 0.000003063 0.000000000 0.000000000 20160136 3906318332
9 8 0 -4559.0511690146 -0.0000000001 0.000001798 0.000001259 0.000000000 0.000000000 19691504 3906372582
10 9 0 -4559.0511690147 -0.0000000000 0.000000272 0.000000118 0.000000000 0.000000000 18653558 3906472567
11 10 0 -4559.0511690147 -0.0000000000 0.000000126 0.000000031 0.000000000 0.000000000 18243448 3906512945
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.9 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0511690147 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.06 TOTAL CPU TIME= 54488.5 ( 908.1 MIN)
TOTAL WALL CLOCK TIME= 9618.3 SECONDS, CPU UTILIZATION IS 566.51%
RHF RI MP2 ENERGY
ESCF= -4559.0511690147
E(2)= -7.6672252013
E(MP2)= -4566.7183942160
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.276976 16.821432 10.863197 20.026142
iFrag= 150 jFrag= 31 EFMOc= -4566.718394216
iFrag= 150 jFrag= 31 EFMOu= -4559.051169015 Tr= 0.000303325
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002578991
--------------------------------------
FINAL EFP ENERGY = -0.0002578991
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-0.730677 1.873885 -1.103253 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.217244 5.611823 15.492579 19.388260
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.175633 -4.605399 3.802990 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.986075 -1.232092 0.376358 19.029733
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.453155 -1.365757 1.349868 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
29.203319 4.379731 15.868937 33.523709
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 151 12 corr= MP2 , LL1= 780 ID= 11186
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 151 12 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0557542520 -4559.0557542520 0.045113633 0.000000000 0.000000000 1.000000000 24711777 3905232843
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0546641962 0.0010900558 0.011870540 0.003155922 0.000000000 0.000000000 23605546 3905847850
3 2 0 -4559.0548098393 -0.0001456431 0.005071498 0.000900648 0.000000000 0.000000000 22894584 3905981294
4 3 0 -4559.0548256007 -0.0000157615 0.000468314 0.000268819 0.000000000 0.000000000 22559442 3906034225
5 4 0 -4559.0548266362 -0.0000010354 0.000240705 0.000110510 0.000000000 0.000000000 21796218 3906141826
6 5 0 -4559.0548267851 -0.0000001489 0.000074757 0.000018004 0.000000000 0.000000000 21124087 3906237968
7 6 0 -4559.0548267992 -0.0000000141 0.000020226 0.000004567 0.000000000 0.000000000 20720202 3906286804
8 7 0 -4559.0548267999 -0.0000000007 0.000006915 0.000003317 0.000000000 0.000000000 19801503 3906385176
9 8 0 -4559.0548268000 -0.0000000001 0.000001459 0.000000783 0.000000000 0.000000000 19275163 3906440507
10 9 0 -4559.0548268000 0.0000000000 0.000000238 0.000000208 0.000000000 0.000000000 18417518 3906513650
11 10 0 -4559.0548268000 0.0000000000 0.000000082 0.000000026 0.000000000 0.000000000 17973564 3906557620
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0548268000 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.67 TOTAL CPU TIME= 55051.2 ( 917.5 MIN)
TOTAL WALL CLOCK TIME= 9717.7 SECONDS, CPU UTILIZATION IS 566.50%
RHF RI MP2 ENERGY
ESCF= -4559.0548268000
E(2)= -7.6646038815
E(MP2)= -4566.7194306815
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
29.297961 4.481197 15.907855 33.637947
iFrag= 151 jFrag= 12 EFMOc= -4566.719430681
iFrag= 151 jFrag= 12 EFMOu= -4559.054826800 Tr= 0.000257899
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007313831
--------------------------------------
FINAL EFP ENERGY = -0.0007313831
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-0.730677 1.873885 -1.103253 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.139516 5.701366 15.385912 19.288381
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
7.192852 -2.760140 -1.931506 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.523849 3.304893 10.455287 13.298257
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.231088 -0.443128 -1.517380 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.663365 9.006259 25.841198 32.571071
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 151 141 corr= MP2 , LL1= 780 ID= 11315
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 151 141 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.1151661537 -4559.1151661537 0.091352449 0.000000000 0.000000000 1.000000000 30290393 3904711865
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9946653735 0.1205007802 0.009085493 0.003885024 0.000000000 0.000000000 29540283 3905261533
3 2 0 -4558.9952295873 -0.0005642138 0.003893069 0.000986275 0.000000000 0.000000000 28648430 3905432690
4 3 0 -4558.9952864528 -0.0000568655 0.000831448 0.000707511 0.000000000 0.000000000 28136276 3905507987
5 4 0 -4558.9952942601 -0.0000078073 0.000363840 0.000094148 0.000000000 0.000000000 26922828 3905673362
6 5 0 -4558.9952948407 -0.0000005807 0.000245828 0.000041097 0.000000000 0.000000000 26149483 3905783907
7 6 0 -4558.9952949229 -0.0000000822 0.000023825 0.000010725 0.000000000 0.000000000 25437837 3905872050
8 7 0 -4558.9952949248 -0.0000000019 0.000007822 0.000002985 0.000000000 0.000000000 23971310 3906031148
9 8 0 -4558.9952949251 -0.0000000003 0.000002237 0.000000982 0.000000000 0.000000000 23465904 3906076170
10 9 0 -4558.9952949251 -0.0000000000 0.000000556 0.000000286 0.000000000 0.000000000 22214607 3906209385
11 10 0 -4558.9952949251 0.0000000000 0.000000229 0.000000065 0.000000000 0.000000000 21331996 3906297703
12 11 0 -4558.9952949251 -0.0000000000 0.000000044 0.000000019 0.000000000 0.000000000 20172832 3906406311
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 62.5 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9952949251 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 568.01 TOTAL CPU TIME= 55619.2 ( 927.0 MIN)
TOTAL WALL CLOCK TIME= 9818.1 SECONDS, CPU UTILIZATION IS 566.50%
RHF RI MP2 ENERGY
ESCF= -4558.9952949251
E(2)= -7.6701979017
E(MP2)= -4566.6654928268
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.634836 9.053909 25.628841 32.400589
iFrag= 151 jFrag= 141 EFMOc= -4566.665492827
iFrag= 151 jFrag= 141 EFMOu= -4558.995294925 Tr= 0.000731383
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0003642565
--------------------------------------
FINAL EFP ENERGY = -0.0003642565
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.635242 3.065983 -5.326069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.185130 -1.003293 12.394458 12.491346
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
3.816627 0.175063 -4.538430 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.793901 8.866467 18.873748 20.867747
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.725935 1.620523 -4.932249 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.979031 7.863174 31.268206 32.302427
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 152 120 corr= MP2 , LL1= 780 ID= 11444
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 152 120 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0215981710 -4559.0215981710 0.055342122 0.000000000 0.000000000 1.000000000 24628707 3905514162
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9905370769 0.0310610940 0.013193739 0.005540180 0.000000000 0.000000000 23640340 3905948515
3 2 0 -4558.9908489246 -0.0003118477 0.006653783 0.002026086 0.000000000 0.000000000 23128441 3906036043
4 3 0 -4558.9908975597 -0.0000486351 0.001344767 0.000560320 0.000000000 0.000000000 22933576 3906065168
5 4 0 -4558.9909020021 -0.0000044424 0.000436263 0.000102182 0.000000000 0.000000000 22359940 3906138000
6 5 0 -4558.9909023259 -0.0000003238 0.000142308 0.000031186 0.000000000 0.000000000 21849020 3906211208
7 6 0 -4558.9909023628 -0.0000000369 0.000024048 0.000006199 0.000000000 0.000000000 21278148 3906276269
8 7 0 -4558.9909023640 -0.0000000011 0.000009851 0.000003157 0.000000000 0.000000000 20487464 3906345069
9 8 0 -4558.9909023642 -0.0000000002 0.000001994 0.000000901 0.000000000 0.000000000 20171002 3906377313
10 9 0 -4558.9909023642 0.0000000000 0.000000343 0.000000105 0.000000000 0.000000000 19413004 3906443507
11 10 0 -4558.9909023642 0.0000000000 0.000000142 0.000000032 0.000000000 0.000000000 19109176 3906484081
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.8 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9909023642 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.09 TOTAL CPU TIME= 56181.3 ( 936.4 MIN)
TOTAL WALL CLOCK TIME= 9917.4 SECONDS, CPU UTILIZATION IS 566.49%
RHF RI MP2 ENERGY
ESCF= -4558.9909023642
E(2)= -7.6674091487
E(MP2)= -4566.6583115129
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.986199 7.800035 31.241330 32.261529
iFrag= 152 jFrag= 120 EFMOc= -4566.658311513
iFrag= 152 jFrag= 120 EFMOu= -4558.990902364 Tr= 0.000364256
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0001270904
--------------------------------------
FINAL EFP ENERGY = -0.0001270904
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.500674 -5.145704 -4.867158 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.265369 -4.189521 0.185235 4.766371
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.153410 3.002240 2.231531 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-18.431967 -0.133018 -7.062922 19.739300
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.827042 -1.071732 -1.317814 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-20.697336 -4.322539 -6.877686 22.234357
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 153 97 corr= MP2 , LL1= 780 ID= 11572
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 153 97 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0606107224 -4559.0606107224 0.048221794 0.000000000 0.000000000 1.000000000 21941711 3905504497
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0462607687 0.0143499537 0.010680684 0.004548679 0.000000000 0.000000000 20518428 3906133345
3 2 0 -4559.0464663743 -0.0002056055 0.005233911 0.001493039 0.000000000 0.000000000 19827783 3906253237
4 3 0 -4559.0464958865 -0.0000295122 0.000776288 0.000553802 0.000000000 0.000000000 19559115 3906290794
5 4 0 -4559.0464989187 -0.0000030322 0.000277282 0.000105496 0.000000000 0.000000000 18757266 3906392305
6 5 0 -4559.0464991119 -0.0000001932 0.000092782 0.000029898 0.000000000 0.000000000 18151864 3906476633
7 6 0 -4559.0464991300 -0.0000000181 0.000014145 0.000009915 0.000000000 0.000000000 17651862 3906543237
8 7 0 -4559.0464991307 -0.0000000007 0.000007812 0.000004414 0.000000000 0.000000000 16986660 3906601862
9 8 0 -4559.0464991309 -0.0000000002 0.000002256 0.000000821 0.000000000 0.000000000 16640487 3906636359
10 9 0 -4559.0464991308 0.0000000000 0.000000351 0.000000097 0.000000000 0.000000000 16350825 3906666897
11 10 0 -4559.0464991309 -0.0000000000 0.000000137 0.000000049 0.000000000 0.000000000 16035523 3906702659
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.5 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0464991309 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 562.97 TOTAL CPU TIME= 56744.2 ( 945.7 MIN)
TOTAL WALL CLOCK TIME= 10016.7 SECONDS, CPU UTILIZATION IS 566.49%
RHF RI MP2 ENERGY
ESCF= -4559.0464991309
E(2)= -7.6646944074
E(MP2)= -4566.7111935383
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-20.863717 -4.320093 -6.941122 22.408416
iFrag= 153 jFrag= 97 EFMOc= -4566.711193538
iFrag= 153 jFrag= 97 EFMOu= -4559.046499131 Tr= 0.000127090
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0002617726
--------------------------------------
FINAL EFP ENERGY = -0.0002617726
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
2.016857 -9.149649 6.590860 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.712283 -2.077969 -0.111367 13.869285
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-6.012497 3.193300 -1.951300 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.947059 -1.642762 0.935629 4.376453
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.997820 -2.978174 2.319780 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.765225 -3.720732 0.824261 10.482503
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 154 74 corr= MP2 , LL1= 780 ID= 11701
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 154 74 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0283463031 -4559.0283463031 0.041678633 0.000000000 0.000000000 1.000000000 34611307 3904160404
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0037458140 0.0246004892 0.009231361 0.004939090 0.000000000 0.000000000 32414378 3905014383
3 2 0 -4559.0040341561 -0.0002883421 0.004080481 0.001663626 0.000000000 0.000000000 31197363 3905217649
4 3 0 -4559.0040738988 -0.0000397427 0.000753998 0.000475965 0.000000000 0.000000000 30629960 3905293540
5 4 0 -4559.0040775597 -0.0000036608 0.000302150 0.000114048 0.000000000 0.000000000 29099337 3905480962
6 5 0 -4559.0040779339 -0.0000003743 0.000120529 0.000037373 0.000000000 0.000000000 27928464 3905643237
7 6 0 -4559.0040779738 -0.0000000398 0.000018364 0.000008811 0.000000000 0.000000000 26922728 3905768762
8 7 0 -4559.0040779751 -0.0000000014 0.000007845 0.000002993 0.000000000 0.000000000 25157919 3905942321
9 8 0 -4559.0040779754 -0.0000000003 0.000001764 0.000001272 0.000000000 0.000000000 24621710 3905996006
10 9 0 -4559.0040779754 -0.0000000000 0.000000297 0.000000137 0.000000000 0.000000000 22944532 3906154142
11 10 0 -4559.0040779754 0.0000000000 0.000000148 0.000000045 0.000000000 0.000000000 21774144 3906268140
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.8 SECONDS ( 5.3 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0040779754 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 564.31 TOTAL CPU TIME= 57308.5 ( 955.1 MIN)
TOTAL WALL CLOCK TIME= 10116.2 SECONDS, CPU UTILIZATION IS 566.50%
RHF RI MP2 ENERGY
ESCF= -4559.0040779754
E(2)= -7.6708061850
E(MP2)= -4566.6748841604
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.794537 -3.613913 0.757473 10.467430
iFrag= 154 jFrag= 74 EFMOc= -4566.674884160
iFrag= 154 jFrag= 74 EFMOu= -4559.004077975 Tr= 0.000261773
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0007078830
--------------------------------------
FINAL EFP ENERGY = -0.0007078830
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.718908 8.826581 -5.255938 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.683260 -3.382308 -6.041295 6.957305
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.440542 -2.739730 -4.577614 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.061330 3.477007 10.815017 12.064351
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.079725 3.043426 -4.916776 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.744590 0.094699 4.773722 6.731160
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 155 51 corr= MP2 , LL1= 780 ID= 11831
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 155 51 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0625412085 -4559.0625412085 0.046415103 0.000000000 0.000000000 1.000000000 31364156 3904748995
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0292206608 0.0333205477 0.009451032 0.003289349 0.000000000 0.000000000 31070431 3905193537
3 2 0 -4559.0296896500 -0.0004689892 0.004766591 0.001053998 0.000000000 0.000000000 30225505 3905342106
4 3 0 -4559.0297571386 -0.0000674886 0.000942950 0.000665033 0.000000000 0.000000000 29844760 3905398490
5 4 0 -4559.0297641868 -0.0000070482 0.000276664 0.000125148 0.000000000 0.000000000 28777050 3905531597
6 5 0 -4559.0297647282 -0.0000005414 0.000153613 0.000046311 0.000000000 0.000000000 27868769 3905652933
7 6 0 -4559.0297647904 -0.0000000622 0.000020189 0.000005626 0.000000000 0.000000000 26799919 3905783047
8 7 0 -4559.0297647924 -0.0000000019 0.000006602 0.000002145 0.000000000 0.000000000 25614667 3905896145
9 8 0 -4559.0297647927 -0.0000000003 0.000001714 0.000000954 0.000000000 0.000000000 25004201 3905961506
10 9 0 -4559.0297647927 -0.0000000000 0.000000329 0.000000144 0.000000000 0.000000000 23498334 3906098269
11 10 0 -4559.0297647926 0.0000000000 0.000000178 0.000000053 0.000000000 0.000000000 22479998 3906207464
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 57.7 SECONDS ( 5.2 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.4, LAST ITERATION= 5.2
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0297647926 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 563.70 TOTAL CPU TIME= 57872.2 ( 964.5 MIN)
TOTAL WALL CLOCK TIME= 10216.0 SECONDS, CPU UTILIZATION IS 566.49%
RHF RI MP2 ENERGY
ESCF= -4559.0297647926
E(2)= -7.6694428943
E(MP2)= -4566.6992076870
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.684041 0.037955 4.741390 6.665018
iFrag= 155 jFrag= 51 EFMOc= -4566.699207687
iFrag= 155 jFrag= 51 EFMOu= -4559.029764793 Tr= 0.000707883
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0000000000
CHARGE-DIPOLE = 0.0000000000
CHARGE-QUADRUPOLE = 0.0000000000
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000000000
DIPOLE-QUADRUPOLE = 0.0000000000
QUADRUPOLE-QUADRUPOLE = 0.0000000000
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0000000000
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = -0.0000470232
--------------------------------------
FINAL EFP ENERGY = -0.0000470232
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.355702 7.901425 2.242069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-11.947114 -3.941378 -9.224407 15.599925
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.850891 -7.368090 6.718976 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.011419 -5.736458 -3.242880 7.245128
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.247594 0.266668 4.480523 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.958533 -9.677837 -12.467287 21.745148
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 156 25 corr= MP2 , LL1= 780 ID= 11959
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 60 NBCORE = 60
LMOMP2 = F AOINTS = DUP
METHOD = 2 NWORD = 0
MP2PRP = F OSPT = NONE
CUTOFF = 1.00E-12 CPHFBS = BASISAO
CODE = OMPRIMP2 SCSPT = NONE
NUMBER OF CORE -A- ORBITALS = 60
NUMBER OF CORE -B- ORBITALS = 60
NUMBER OF OCC. -A- ORBITALS = 300
NUMBER OF OCC. -B- ORBITALS = 300
NUMBER OF MOLECULAR ORBITALS = 780
NUMBER OF BASIS FUNCTIONS = 780
AO spaces for 156 25 0 n-mer: L1= 780, L0= 780
Preparing AFOs for this system...
DIRECT SCF CALCULATION, SCHWRZ=T FDIFF=T, DIRTHR= 0.00E+00 NITDIR=10
NONZERO BLOCKS
ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD VIR. SHIFT DAMPING INTEGRALS SKIPPED
1 0 0 -4559.0491526722 -4559.0491526722 0.013516154 0.000000000 0.000000000 1.000000000 21835336 3905735808
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0492667895 -0.0001141174 0.002371810 0.000475238 0.000000000 0.000000000 20695616 3906196095
3 2 0 -4559.0492737364 -0.0000069469 0.000882811 0.000156671 0.000000000 0.000000000 20161760 3906278734
4 3 0 -4559.0492746524 -0.0000009160 0.000251232 0.000098857 0.000000000 0.000000000 19942674 3906308813
5 4 0 -4559.0492747519 -0.0000000995 0.000076030 0.000013365 0.000000000 0.000000000 19273828 3906389249
6 5 0 -4559.0492747571 -0.0000000052 0.000010525 0.000004052 0.000000000 0.000000000 18842526 3906451865
7 6 0 -4559.0492747576 -0.0000000005 0.000002507 0.000000729 0.000000000 0.000000000 18522187 3906497052
8 7 0 -4559.0492747576 -0.0000000000 0.000001571 0.000000304 0.000000000 0.000000000 17894240 3906556944
9 8 0 -4559.0492747576 0.0000000000 0.000000171 0.000000111 0.000000000 0.000000000 17546564 3906591144
10 9 0 -4559.0492747577 -0.0000000000 0.000000061 0.000000053 0.000000000 0.000000000 16854579 3906649961
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.4 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.1
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0492747577 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 557.54 TOTAL CPU TIME= 58429.8 ( 973.8 MIN)
TOTAL WALL CLOCK TIME= 10314.3 SECONDS, CPU UTILIZATION IS 566.49%
RHF RI MP2 ENERGY
ESCF= -4559.0492747577
E(2)= -7.6642297148
E(MP2)= -4566.7135044725
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.958409 -9.682874 -12.466223 21.746696
iFrag= 156 jFrag= 25 EFMOc= -4566.713504472
iFrag= 156 jFrag= 25 EFMOu= -4559.049274758 Tr= 0.000047023
CPU 0: STEP CPU TIME= 504.95 TOTAL CPU TIME= 58934.7 ( 982.2 MIN)
TOTAL WALL CLOCK TIME= 10402.2 SECONDS, CPU UTILIZATION IS 566.56%
Dimer synchronisation for layer 1 took 40.5 s.
CPU 0: STEP CPU TIME= 11.57 TOTAL CPU TIME= 58946.3 ( 982.4 MIN)
TOTAL WALL CLOCK TIME= 10442.7 SECONDS, CPU UTILIZATION IS 564.48%
Tim2: IJ 9764.07 lump 40.47 DFTBg 0.00 PCM 0.00 SCZV 0.00 total 9804.54
Data exchange of 100054 words took 0.0 s.
CPU 0: STEP CPU TIME= 0.01 TOTAL CPU TIME= 58946.3 ( 982.4 MIN)
TOTAL WALL CLOCK TIME= 10442.7 SECONDS, CPU UTILIZATION IS 564.48%
FMO properties
###############
Layer 1 converged in 1 iterations (max 30, conv .10E-06).
Nuclear repulsion energy: 19944118.432938643
Total number of atoms: 14109
Total number of electrons: 48370
Total charge: 0
Total spin multiplicity: 1
Total number of basis functions: 62345
Total number of molecular orbitals: 62345
Energy values (E) are given with external ESP subtracted.
D(dipole), Q(quadrupole) and O(octopole) moments are printed in the order:
X,Y,Z; XX,YY,ZZ,XY,XZ,YZ; XXX,XXY,XXZ,XYY,YYY,YYZ,XZZ,YZZ,ZZZ,XYZ,
computed at the point (A): -0.59283595 -0.13695585 0.50618201
Both uncorrelated and correlated energies are printed.
Gradient is printed only as correlated values.
Other properties correspond to uncorrelated wavefunction.
One-body FMO properties.
=======================
E"corr E"uncorr DX DY DZ
1(MSN1FN1 ,L1) -6410.111218789 -6405.259372890 -15.78277 23.41366 -1.47284
2(MSN2 ,L1) -5232.259584562 -5228.316004287 40.72390 -29.62838 -20.35902
3(MSN3 ,L1) -6030.811951861 -6026.485936115 -24.39756 21.38902 19.61546
4(MSN4 ,L1) -6252.179119311 -6247.690443368 13.09574 -18.38099 16.21003
5(MSN5 ,L1) -7053.541390388 -7048.107737912 7.78690 -24.80194 41.55701
6(frg00006,L1) -2283.355412059 -2279.522488818 -4.24700 8.11044 -14.99218
7(frg00007,L1) -2283.374155803 -2279.540630767 -8.05110 -5.86926 5.09618
8(frg00008,L1) -2283.350245686 -2279.516313114 0.71021 10.09824 -1.41060
9(frg00009,L1) -2283.361358850 -2279.526112765 -3.52210 -5.73717 2.75992
10(frg00010,L1) -2283.370002792 -2279.535197432 -3.38821 1.42447 -4.19940
11(frg00011,L1) -2283.363165774 -2279.530767103 -0.07163 16.17178 0.42762
12(frg00012,L1) -2283.357660506 -2279.526329473 19.00079 -1.29640 0.40729
13(frg00013,L1) -2283.361880229 -2279.529557639 -0.99132 -4.30539 -5.57806
14(frg00014,L1) -2283.357410279 -2279.526070804 -15.75628 3.63434 -15.44061
15(frg00015,L1) -2283.361033803 -2279.527374269 -0.44473 15.98038 -13.23187
16(frg00016,L1) -2283.361664944 -2279.528347363 17.63495 0.94021 18.48952
17(frg00017,L1) -2283.355503196 -2279.523996376 -7.23469 6.74315 -17.15828
18(frg00018,L1) -2283.360694807 -2279.529225986 4.09546 7.11390 5.28873
19(frg00019,L1) -2283.356769572 -2279.525379191 6.19104 8.34794 3.98217
20(frg00020,L1) -2283.337343435 -2279.503267341 7.98772 4.97238 -3.92329
21(frg00021,L1) -2283.355667323 -2279.524168466 3.90942 -6.49208 -3.76236
22(frg00022,L1) -2283.355039672 -2279.523286563 -10.98769 7.86132 8.12576
23(frg00023,L1) -2283.354650525 -2279.523007946 -14.68374 4.19061 4.43745
24(frg00024,L1) -2283.357725469 -2279.526249347 5.56036 -9.69803 -0.02967
25(frg00025,L1) -2283.354868375 -2279.522312129 -3.01514 -5.70753 -3.24402
26(frg00026,L1) -2283.357779033 -2279.526395063 -3.58538 -1.79759 -5.83280
27(frg00027,L1) -2283.372617587 -2279.539414018 -2.23060 -0.47651 -6.89736
28(frg00028,L1) -2283.358500532 -2279.526759088 2.06096 9.89862 -3.66998
29(frg00029,L1) -2283.363765202 -2279.528935275 13.34432 -3.56585 2.67181
30(frg00030,L1) -2283.356187723 -2279.524748944 -9.05022 -12.14562 4.52430
31(frg00031,L1) -2283.359941854 -2279.526817204 1.97253 -0.98911 6.76225
32(frg00032,L1) -2283.360329515 -2279.527841328 14.84547 -5.78076 5.06911
33(frg00033,L1) -2283.357439986 -2279.526078861 16.66902 -4.87661 4.87009
34(frg00034,L1) -2283.357881122 -2279.523006922 16.15078 -9.04439 6.82889
35(frg00035,L1) -2283.367253525 -2279.534074854 -3.57650 -8.50032 5.82201
36(frg00036,L1) -2283.322332875 -2279.489033500 -6.70847 8.91722 -3.76870
37(frg00037,L1) -2283.368390998 -2279.535178238 -9.13731 -0.55730 18.12332
38(frg00038,L1) -2283.323887355 -2279.490452982 -2.72575 -1.39206 7.22098
39(frg00039,L1) -2283.357355635 -2279.525989571 17.82358 -2.86958 18.09096
40(frg00040,L1) -2283.323327625 -2279.489707475 6.63710 -12.54959 -5.06351
41(frg00041,L1) -2283.357107886 -2279.525741154 19.48263 -0.57042 -6.75045
42(frg00042,L1) -2283.355559370 -2279.522996546 -4.30013 -0.41034 0.43339
43(frg00043,L1) -2283.364942795 -2279.531356412 8.01514 1.41459 -1.07968
44(frg00044,L1) -2283.364657772 -2279.531579389 7.39745 -10.74534 6.35043
45(frg00045,L1) -2283.358111884 -2279.526750128 7.01399 -1.81785 16.27142
46(frg00046,L1) -2283.354677571 -2279.523144974 0.24511 0.35654 6.07123
47(frg00047,L1) -2283.358494567 -2279.527204277 8.65931 13.52715 -1.45516
48(frg00048,L1) -2283.358840769 -2279.525293864 7.37598 9.74285 8.02187
49(frg00049,L1) -2283.350017649 -2279.514322464 9.62937 -14.41120 -12.47896
50(frg00050,L1) -2283.359560470 -2279.527379488 -2.77807 3.05995 11.60960
51(frg00051,L1) -2283.356331529 -2279.524132535 4.07804 3.43003 10.83807
52(frg00052,L1) -2283.358571345 -2279.525010781 8.97459 -1.65309 9.62799
53(frg00053,L1) -2283.334417372 -2279.501211164 10.50327 -2.06135 -2.78814
54(frg00054,L1) -2283.320514729 -2279.488343564 -2.76741 7.73218 2.29650
55(frg00055,L1) -2283.357448276 -2279.525240031 1.51683 2.82259 4.91323
56(frg00056,L1) -2283.357385628 -2279.525954535 2.46634 1.41596 7.66172
57(frg00057,L1) -2283.357563099 -2279.525329673 -6.06431 4.77739 3.75543
58(frg00058,L1) -2283.359084897 -2279.527670341 2.74484 -2.04519 -20.39187
59(frg00059,L1) -2283.356001901 -2279.524542066 -2.14380 5.53951 -5.65617
60(frg00060,L1) -2283.360924407 -2279.527104668 -8.70501 -6.38416 14.26937
61(frg00061,L1) -2283.355257169 -2279.523703987 7.83873 -2.37015 -15.12743
62(frg00062,L1) -2283.323220444 -2279.489158485 9.67263 -2.96123 8.07653
63(frg00063,L1) -2283.325116877 -2279.490364245 5.16604 3.29040 -20.66506
64(frg00064,L1) -2283.359763185 -2279.528325182 -3.58591 -10.37026 5.23987
65(frg00065,L1) -2283.357153617 -2279.525797049 10.22476 -5.72923 -5.38970
66(frg00066,L1) -2283.353729449 -2279.520466955 -3.69973 -8.40233 -18.93169
67(frg00067,L1) -2283.356955295 -2279.525446224 -13.21611 8.45503 -6.62677
68(frg00068,L1) -2283.352934856 -2279.521066268 -1.81716 7.06857 15.91187
69(frg00069,L1) -2283.357635106 -2279.526307049 -5.69195 1.61286 3.45424
70(frg00070,L1) -2283.363247548 -2279.528966833 -6.97879 -6.83914 -9.02857
71(frg00071,L1) -2283.353259322 -2279.521628409 -0.16666 3.22786 -4.74824
72(frg00072,L1) -2283.355100813 -2279.523565450 5.11876 -7.25347 4.78558
73(frg00073,L1) -2283.360963490 -2279.529679002 -7.36827 7.10361 12.54548
74(frg00074,L1) -2283.338217904 -2279.502607278 3.91226 -1.67537 1.01455
75(frg00075,L1) -2283.355661836 -2279.524130673 -5.94455 -15.29233 -1.01801
76(frg00076,L1) -2283.362691803 -2279.528749883 13.89559 14.14243 -2.23736
77(frg00077,L1) -2283.357262252 -2279.525889094 -9.88648 -0.68031 3.66067
78(frg00078,L1) -2283.351351726 -2279.517179921 -9.21289 -13.23174 -10.98541
79(frg00079,L1) -2283.359984109 -2279.527148940 1.76787 -10.13158 0.01735
80(frg00080,L1) -2283.358029697 -2279.525116248 3.65563 2.95777 2.85683
81(frg00081,L1) -2283.357890685 -2279.526472458 2.00600 3.66858 -0.61296
82(frg00082,L1) -2283.354630030 -2279.523023043 7.73703 12.70427 7.81654
83(frg00083,L1) -2283.356967668 -2279.525547969 3.44119 2.07098 -3.94788
84(frg00084,L1) -2283.355680714 -2279.524209657 5.63280 9.95945 -0.43560
85(frg00085,L1) -2283.329126331 -2279.494577164 -7.62775 8.21375 2.65828
86(frg00086,L1) -2283.344919640 -2279.512223327 -2.12127 -3.76053 -6.13285
87(frg00087,L1) -2283.361825572 -2279.527388638 7.13127 7.57698 3.23826
88(frg00088,L1) -2283.357140599 -2279.525772413 14.69902 10.09042 12.01031
89(frg00089,L1) -2283.355054820 -2279.523424373 -9.11042 2.21052 7.00008
90(frg00090,L1) -2283.355074303 -2279.522887634 -10.84544 -1.95724 15.44765
91(frg00091,L1) -2283.355717041 -2279.522893472 3.56544 -7.72066 -1.18922
92(frg00092,L1) -2283.356835263 -2279.525300703 5.79088 -6.51375 -3.59768
93(frg00093,L1) -2283.351564915 -2279.519592650 11.35137 3.19560 -5.15399
94(frg00094,L1) -2283.346699579 -2279.513679928 3.32862 -2.49007 -17.84168
95(frg00095,L1) -2283.359528966 -2279.526677831 -0.96688 -3.14917 -3.90842
96(frg00096,L1) -2283.311422840 -2279.477278387 4.47938 14.39123 -11.56452
97(frg00097,L1) -2283.358137794 -2279.526835535 -18.45181 -0.10292 -7.08185
98(frg00098,L1) -2283.338947168 -2279.507124825 0.54146 0.37113 -0.35829
99(frg00099,L1) -2283.363233168 -2279.529561170 7.65518 -1.71851 17.31846
100(frg00100,L1) -2283.355429437 -2279.523736376 -6.21905 -4.67549 -12.21529
101(frg00101,L1) -2283.358092862 -2279.526768133 -2.80871 -3.48836 -11.97224
102(frg00102,L1) -2283.357492887 -2279.524700187 -9.21639 -4.12164 2.37281
103(frg00103,L1) -2283.358662054 -2279.526815139 -14.86146 3.81799 4.30379
104(frg00104,L1) -2283.369759498 -2279.535205072 5.41027 -1.44765 -9.54247
105(frg00105,L1) -2283.339405273 -2279.507054294 0.90039 9.94568 0.14032
106(frg00106,L1) -2283.357331164 -2279.525904332 -2.47660 7.22386 -6.23607
107(frg00107,L1) -2283.367809196 -2279.536049613 1.86897 3.55226 2.20666
108(frg00108,L1) -2283.339014897 -2279.503112000 0.03086 7.37798 0.93632
109(frg00109,L1) -2283.363330188 -2279.531101830 -11.57346 5.24302 10.98015
110(frg00110,L1) -2283.354454785 -2279.521241782 -5.51619 -15.68142 20.73528
111(frg00111,L1) -2283.356740594 -2279.524243604 13.46303 -14.73043 7.98058
112(frg00112,L1) -2283.344511074 -2279.510953058 0.30912 1.82074 -8.65448
113(frg00113,L1) -2283.351328797 -2279.517745464 8.43153 -16.27607 26.79738
114(frg00114,L1) -2283.355574487 -2279.523677959 8.47727 2.70702 2.16728
115(frg00115,L1) -2283.355831938 -2279.523613989 -2.63758 -0.06640 5.84890
116(frg00116,L1) -2283.361516867 -2279.529457432 20.54035 9.74175 -8.63196
117(frg00117,L1) -2283.362802702 -2279.529695347 1.78662 1.46604 11.46076
118(frg00118,L1) -2283.355748933 -2279.524248669 -1.36103 -6.69895 -5.23107
119(frg00119,L1) -2283.364814394 -2279.531525799 2.68749 -9.58134 8.11753
120(frg00120,L1) -2283.298474342 -2279.464999864 0.81181 9.04529 18.85179
121(frg00121,L1) -2283.372009414 -2279.537349484 -3.74992 2.61229 -21.06315
122(frg00122,L1) -2283.354991018 -2279.523352533 17.25320 -5.14723 14.76896
123(frg00123,L1) -2283.355264370 -2279.523082942 1.32829 1.92965 10.23719
124(frg00124,L1) -2283.365934630 -2279.530994034 6.74092 -5.66893 4.59301
125(frg00125,L1) -2283.336519712 -2279.503260928 -2.32789 -7.52123 -4.82213
126(frg00126,L1) -2283.343968514 -2279.511864769 -5.65497 -3.66442 4.42720
127(frg00127,L1) -2283.350774037 -2279.517924334 6.56457 -19.03226 19.72329
128(frg00128,L1) -2283.354318926 -2279.522731306 -2.13130 -1.26296 14.73356
129(frg00129,L1) -2283.359244530 -2279.527983615 -3.39442 5.88660 -15.77075
130(frg00130,L1) -2283.357256208 -2279.525795315 0.65873 0.55040 1.63105
131(frg00131,L1) -2283.354302095 -2279.522675343 1.03600 -10.92960 -6.01319
132(frg00132,L1) -2283.368318846 -2279.536486193 2.95069 0.96634 -10.05909
133(frg00133,L1) -2283.363564373 -2279.530936182 -7.98170 0.47733 8.14219
134(frg00134,L1) -2283.357818269 -2279.525867847 3.94495 11.10473 -4.90683
135(frg00135,L1) -2283.355375934 -2279.523095578 -0.39512 -4.93463 1.87825
136(frg00136,L1) -2283.364491663 -2279.531155186 2.32370 -3.36710 12.34636
137(frg00137,L1) -2283.352142984 -2279.517561020 0.49990 11.68588 -17.94377
138(frg00138,L1) -2283.344685608 -2279.510573047 0.43249 -17.92395 3.87139
139(frg00139,L1) -2283.360596831 -2279.529198867 18.93722 -5.73232 4.15384
140(frg00140,L1) -2283.360711027 -2279.528584983 1.85282 0.83306 7.06889
141(frg00141,L1) -2283.355358712 -2279.521747719 7.64441 3.44937 10.45802
142(frg00142,L1) -2283.356729714 -2279.524527641 -1.12613 -1.10651 -5.94851
143(frg00143,L1) -2283.346698383 -2279.513500258 0.56761 -3.19124 5.57950
144(frg00144,L1) -2283.358032283 -2279.526722754 10.43630 7.28995 -3.65680
145(frg00145,L1) -2283.364720889 -2279.532656797 2.36532 -8.61920 -13.79100
146(frg00146,L1) -2283.359670307 -2279.526882749 0.30521 -6.57764 -2.67228
147(frg00147,L1) -2283.355573233 -2279.524057427 -13.90521 2.65215 -0.88776
148(frg00148,L1) -2283.370178697 -2279.537222371 4.61348 -8.45483 -13.25674
149(frg00149,L1) -2283.356212787 -2279.524785075 2.95657 -7.57018 13.51401
150(frg00150,L1) -2283.357461419 -2279.525961045 -2.51074 17.90300 4.11989
151(frg00151,L1) -2283.360353845 -2279.528912679 10.09444 5.62460 15.49365
152(frg00152,L1) -2283.359721774 -2279.527962683 1.17720 -1.04983 12.43995
153(frg00153,L1) -2283.356472545 -2279.525051361 -2.25557 -4.21425 0.21343
154(frg00154,L1) -2283.336698381 -2279.504205079 -13.65075 -2.10150 -0.13815
155(frg00155,L1) -2283.332762368 -2279.498843680 0.69519 -3.34279 -6.09082
156(frg00156,L1) -2283.357522369 -2279.525855557 -11.93624 -3.93805 -9.20109
157(frg00157,L1) -2283.355513600 -2279.523992753 0.43917 -7.80496 0.44514
158(frg00158,L1) -2816.156840128 -2811.429108158 5.78901 -2.79172 -8.97759
Frontier molecular orbital (FMO!) properties based on Koopmans' theorem.
Electronegativity = - chemical potential. All values are in eV.
Frag Ionization Electron Chemical Global Global Electrophili-
potential affinity potential hardness softness city index
EA and related properties are often very inaccurate.
-------------------------------------------------------------------------------
1 11.582952 0.305707 -5.944330 11.277245 0.088674 1.566653
2 6.684103 2.193598 -4.438851 4.490505 0.222692 2.193895
3 8.611711 2.177912 -5.394812 6.433800 0.155429 2.261804
4 8.395339 3.146651 -5.770995 5.248688 0.190524 3.172639
5 10.151115 3.335600 -6.743358 6.815515 0.146724 3.335982
6 13.160661 4.831821 -8.996241 8.328840 0.120065 4.858561
7 12.731126 4.538480 -8.634803 8.192646 0.122061 4.550411
8 12.569028 4.814421 -8.691724 7.754607 0.128956 4.871044
9 13.176337 3.792351 -8.484344 9.383986 0.106565 3.835476
10 12.967909 4.269744 -8.618826 8.698166 0.114967 4.270105
11 13.141269 4.322545 -8.731907 8.818724 0.113395 4.322972
12 13.430642 5.388371 -9.409507 8.042271 0.124343 5.504590
13 13.443863 4.545661 -8.994762 8.898201 0.112382 4.546185
14 13.447979 5.337908 -9.392943 8.110071 0.123303 5.439372
15 12.780867 4.106359 -8.443613 8.674508 0.115280 4.109432
16 12.443901 4.889484 -8.666692 7.554417 0.132373 4.971367
17 13.345350 5.112675 -9.229013 8.232675 0.121467 5.172965
18 13.107884 5.074950 -9.091417 8.032934 0.124488 5.144687
19 13.374224 5.461548 -9.417886 7.912676 0.126380 5.604715
20 12.796453 5.247772 -9.022113 7.548681 0.132473 5.391572
21 13.280426 5.280581 -9.280504 7.999845 0.125002 5.383089
22 13.406860 4.893980 -9.150420 8.512881 0.117469 4.917853
23 13.191763 5.393179 -9.292471 7.798584 0.128228 5.536263
24 13.446533 5.139031 -9.292782 8.307501 0.120373 5.197459
25 12.843678 5.063945 -8.953812 7.779733 0.128539 5.152538
26 13.289379 5.326523 -9.307951 7.962856 0.125583 5.440131
27 12.992898 3.819757 -8.406328 9.173141 0.109014 3.851808
28 13.426440 3.666212 -8.546326 9.760228 0.102457 3.741700
29 13.297397 4.245944 -8.771671 9.051453 0.110479 4.250268
30 13.321054 5.464301 -9.392677 7.856753 0.127279 5.614430
31 13.507907 4.437444 -8.972676 9.070463 0.110248 4.437971
32 12.979450 4.736375 -8.857912 8.243075 0.121314 4.759304
33 13.496267 5.145187 -9.320727 8.351080 0.119745 5.201480
34 11.861289 4.159966 -8.010628 7.701323 0.129848 4.166177
35 12.837610 4.238593 -8.538102 8.599016 0.116292 4.238809
36 11.669768 4.354359 -8.012063 7.315409 0.136698 4.387531
37 12.675792 4.061794 -8.368793 8.613998 0.116090 4.065284
38 11.875796 5.150101 -8.512949 6.725695 0.148684 5.387569
39 13.388010 5.260868 -9.324439 8.127142 0.123044 5.349061
40 12.087563 4.815945 -8.451754 7.271618 0.137521 4.911709
41 13.410052 5.343357 -9.376704 8.066695 0.123967 5.449728
42 13.042992 4.934041 -8.988517 8.108951 0.123321 4.981744
43 13.369627 3.630396 -8.500011 9.739231 0.102678 3.709235
44 13.124658 4.446213 -8.785436 8.678446 0.115228 4.446872
45 13.467856 5.191766 -9.329811 8.276090 0.120830 5.258847
46 13.466527 5.364690 -9.415609 8.101837 0.123429 5.471209
47 13.421738 5.292243 -9.356990 8.129495 0.123009 5.384914
48 13.314583 4.474475 -8.894529 8.840107 0.113121 4.474643
49 12.565517 4.257191 -8.411354 8.308326 0.120361 4.257830
50 12.807041 5.417237 -9.112139 7.389804 0.135322 5.617948
51 13.344217 4.123131 -8.733674 9.221086 0.108447 4.136013
52 13.328906 3.703464 -8.516185 9.625442 0.103891 3.767381
53 12.069227 5.277277 -8.673252 6.791950 0.147233 5.537828
54 11.639940 4.683553 -8.161747 6.956387 0.143753 4.787982
55 13.166894 4.718299 -8.942597 8.448595 0.118363 4.732741
56 13.404359 4.793091 -9.098725 8.611268 0.116127 4.806888
57 13.289345 4.349954 -8.819650 8.939392 0.111864 4.350756
58 13.415984 4.399614 -8.907799 9.016370 0.110909 4.400268
59 13.428481 5.229855 -9.329168 8.198626 0.121972 5.307802
60 13.465692 4.378886 -8.922289 9.086806 0.110050 4.380375
61 13.400898 5.180609 -9.290754 8.220289 0.121650 5.250309
62 11.648260 4.877613 -8.262936 6.770647 0.147696 5.042068
63 11.882875 5.026485 -8.454680 6.856389 0.145849 5.212774
64 13.376884 4.929441 -9.153162 8.447442 0.118379 4.958920
65 13.452475 5.429101 -9.440788 8.023374 0.124636 5.554301
66 13.009647 3.600761 -8.305204 9.408886 0.106283 3.665493
67 13.310134 5.354216 -9.332175 7.955919 0.125693 5.473252
68 12.882178 5.418775 -9.150476 7.463404 0.133987 5.609453
69 13.506011 5.388591 -9.447301 8.117420 0.123192 5.497529
70 13.184905 4.243115 -8.714010 8.941789 0.111834 4.246016
71 13.332978 5.464897 -9.398938 7.868081 0.127096 5.613823
72 13.530699 4.759920 -9.145310 8.770780 0.114015 4.767916
73 13.473790 5.330248 -9.402019 8.143542 0.122797 5.427489
74 12.055500 4.442836 -8.249168 7.612664 0.131360 4.469446
75 13.523753 5.123910 -9.323831 8.399844 0.119050 5.174729
76 13.070092 4.714791 -8.892442 8.355301 0.119684 4.732057
77 13.421072 5.071801 -9.246437 8.349272 0.119771 5.120003
78 13.475119 3.580505 -8.527812 9.894614 0.101065 3.674907
79 13.198386 4.658229 -8.928308 8.540157 0.117094 4.667050
80 13.331445 4.666617 -8.999031 8.664829 0.115409 4.673062
81 13.488334 4.299852 -8.894093 9.188482 0.108832 4.304568
82 13.393015 5.384831 -9.388923 8.008183 0.124872 5.503862
83 13.135560 5.329415 -9.232487 7.806145 0.128104 5.459726
84 13.478669 5.335750 -9.407209 8.142919 0.122806 5.433898
85 11.816430 4.580337 -8.198383 7.236093 0.138196 4.644321
86 12.207516 4.838695 -8.523105 7.368821 0.135707 4.929101
87 13.390652 4.044992 -8.717822 9.345661 0.107002 4.066081
88 13.496539 5.403973 -9.450256 8.092566 0.123570 5.517863
89 13.313053 5.154478 -9.233766 8.158575 0.122570 5.225326
90 11.867488 5.182452 -8.524970 6.685036 0.149588 5.435656
91 13.504319 4.114847 -8.809583 9.389472 0.106502 4.132754
92 13.391032 4.243475 -8.817253 9.147557 0.109319 4.249438
93 12.876636 5.393594 -9.135115 7.483042 0.133635 5.575963
94 12.505290 4.227605 -8.366447 8.277685 0.120807 4.228081
95 12.864125 5.417167 -9.140646 7.446958 0.134283 5.609768
96 11.466112 3.647251 -7.556681 7.818861 0.127896 3.651647
97 13.379240 5.447260 -9.413250 7.931980 0.126072 5.585571
98 11.532523 5.189582 -8.361052 6.342941 0.157656 5.510629
99 13.172715 4.359429 -8.766072 8.813286 0.113465 4.359556
100 13.227220 4.982168 -9.104694 8.245052 0.121285 5.026982
101 13.322319 5.388815 -9.355567 7.933504 0.126048 5.516266
102 13.365681 3.629049 -8.497365 9.736632 0.102705 3.707915
103 12.869812 5.150617 -9.010215 7.719195 0.129547 5.258578
104 13.141900 4.457370 -8.799635 8.684530 0.115147 4.458133
105 11.888936 4.744287 -8.316612 7.144649 0.139965 4.840408
106 13.477794 5.200417 -9.339105 8.277377 0.120811 5.268510
107 12.783133 4.684347 -8.733740 8.098786 0.123475 4.709238
108 12.448496 4.306665 -8.377581 8.141831 0.122822 4.310078
109 12.923810 4.774088 -8.848949 8.149722 0.122704 4.804084
110 12.918266 4.482504 -8.700385 8.435763 0.118543 4.486654
111 12.732854 4.474089 -8.603472 8.258765 0.121083 4.481283
112 13.148925 3.841543 -8.495234 9.307382 0.107442 3.876976
113 13.403839 4.251874 -8.827856 9.151965 0.109266 4.257613
114 13.451120 3.724268 -8.587694 9.726851 0.102808 3.790974
115 13.415927 3.690783 -8.553355 9.725144 0.102826 3.761378
116 12.741944 4.916218 -8.829081 7.825726 0.127784 4.980539
117 13.396885 4.585688 -8.991286 8.811197 0.113492 4.587528
118 13.399237 4.992003 -9.195620 8.407234 0.118945 5.028968
119 13.466692 5.111008 -9.288850 8.355684 0.119679 5.163116
120 11.318547 4.956976 -8.137762 6.361571 0.157194 5.204938
121 12.657132 4.722106 -8.689619 7.935026 0.126024 4.757985
122 13.411100 5.165569 -9.288334 8.245531 0.121278 5.231510
123 13.486777 4.337955 -8.912366 9.148822 0.109304 4.341011
124 13.194740 3.929808 -8.562274 9.264933 0.107934 3.956453
125 12.644476 5.277453 -8.960964 7.367022 0.135740 5.449887
126 11.670272 5.180226 -8.425249 6.490045 0.154082 5.468746
127 13.191075 4.796934 -8.994005 8.394141 0.119131 4.818368
128 13.405415 5.394213 -9.399814 8.011202 0.124825 5.514559
129 13.392410 5.270585 -9.331498 8.121824 0.123125 5.360670
130 13.396250 4.630430 -9.013340 8.765820 0.114079 4.633924
131 13.183622 4.776255 -8.979938 8.407366 0.118943 4.795752
132 12.766095 4.794567 -8.780331 7.971528 0.125446 4.835598
133 12.763361 4.937958 -8.850660 7.825403 0.127789 5.005121
134 13.399149 4.509487 -8.954318 8.889662 0.112490 4.509722
135 12.914079 4.932566 -8.923322 7.981512 0.125290 4.988133
136 13.223366 4.641679 -8.932523 8.581686 0.116527 4.648851
137 12.424333 4.037196 -8.230764 8.387137 0.119230 4.038654
138 12.861340 4.432857 -8.647099 8.428483 0.118645 4.435692
139 13.388455 5.010331 -9.199393 8.378124 0.119358 5.050583
140 12.827786 5.274381 -9.051083 7.553405 0.132391 5.422859
141 13.185475 4.392797 -8.789136 8.792678 0.113731 4.392798
142 13.386873 4.237833 -8.812353 9.149040 0.109301 4.244028
143 12.601082 4.898933 -8.750008 7.702149 0.129834 4.970213
144 13.388946 5.198860 -9.293903 8.190086 0.122099 5.273244
145 13.048422 4.552055 -8.800238 8.496367 0.117697 4.557489
146 12.995510 4.654946 -8.825228 8.340564 0.119896 4.669028
147 13.569787 5.293990 -9.431888 8.275798 0.120834 5.374740
148 13.172316 4.622254 -8.897285 8.550062 0.116958 4.629304
149 13.512061 5.385544 -9.448802 8.126516 0.123054 5.493121
150 13.351638 4.718976 -9.035307 8.632662 0.115839 4.728366
151 13.120407 5.216917 -9.168662 7.903490 0.126526 5.318180
152 13.457521 4.501049 -8.979285 8.956473 0.111651 4.501078
153 13.482519 5.226011 -9.354265 8.256508 0.121117 5.298988
154 11.802071 4.177242 -7.989657 7.624829 0.131150 4.185970
155 11.549418 4.746899 -8.148159 6.802519 0.147004 4.879993
156 13.239240 5.094612 -9.166926 8.144628 0.122780 5.158770
157 13.441704 4.871498 -9.156601 8.570206 0.116683 4.891559
158 13.084245 4.323673 -8.703959 8.760572 0.114148 4.323856
Total energy of the molecule: Ecorr (1)= -380864.957592882
Total energy of the molecule: Euncorr(1)= -380254.638406427
Total energy of the molecule: Edelta (1)= -610.319186455
Dipole moment D(xyz),DA(1)= 208.5106957 -81.3816839 179.3905819 286.8460730
Two-body FMO properties.
========================
DL: D=C dynamically correlated (MP2,CI), D=N not dynamically correlated
(RHF,DFT). D=S separated dimer: semiclassical interaction (ES), D=M MCSCF.
L stands for layer, Z is the monomer charge product, R is the interfragment
distance relative to van-der-Waals radii (-1.00 is printed if distances are
not computed). dDIJ*VIJ is the explicit embedded charge transfer energy.
Q(I->J) is the charge transfer amount, printed as zero if not available.
Positive values correspond to I in IJ having extra negative charge.
I J DL Z R Q(I->J) E"corr E"uncorr E"IJ-E"I-E"J,corr/uncorr dDIJ*VIJ,unc Gsol tot,corr
------------------------------------------------------------------------------------------------------------------------
2 1 C1 0 0.00 0.0000 -11993.156711098 -11984.185005098-350.78590775-350.60962792 0.03462688 0.000 0.000
3 1 C1 0 0.80 0.0000 -12440.909596747 -12431.717599862 0.01357390 0.02770914 0.00486765 0.000 8.518
3 2 C1 0 0.00 0.0000 -11614.421231552 -11605.970773513-351.34969513-351.16883311 0.02860008 0.000 0.000
4 1 S1 0 2.32 0.0000 -12652.931353724 -12652.931134830 0.01846253 0.01868143 0.00000000 0.000 11.585
4 2 C1 0 1.23 0.0000 -11484.455841960 -11476.015307745 -0.01713809 -0.00886009 0.00623379 0.000 -10.754
4 3 C1 0 0.00 0.0000 -12633.729849552 -12624.742832619-350.73877838-350.56645314 0.03637290 0.000 0.000
5 1 S1 0 2.90 0.0000 -13453.350227302 -13453.350149951 0.01688350 0.01696085 0.00000000 0.000 10.595
5 2 S1 0 2.01 0.0000 -12276.410777315 -12276.410541352 0.01296488 0.01320085 0.00000000 0.000 8.136
5 3 C1 0 1.19 0.0000 -13084.337771495 -13074.570764800 0.01557075 0.02290923 0.00647200 0.000 9.771
5 4 C1 0 0.00 0.0000 -13656.578950717 -13646.488742485-350.85844102-350.69056120 0.02936425 0.000 0.000
6 1 C1 0 1.67 0.0000 -8693.470161250 -8684.785611497 -0.00353040 -0.00374979 0.00008061 0.000 -2.215
6 2 C1 0 1.30 0.0000 -7515.616443572 -7507.838124746 -0.00144695 0.00036836 0.00020788 0.000 -0.908
6 3 S1 0 2.07 0.0000 -8306.003699261 -8306.003649625 0.00472567 0.00477531 0.00000000 0.000 2.965
6 4 S1 0 2.47 0.0000 -8527.214212355 -8527.214194748 -0.00128017 -0.00126256 0.00000000 0.000 -0.803
6 5 S1 0 2.95 0.0000 -9327.630757067 -9327.630749209 -0.00053034 -0.00052248 0.00000000 0.000 -0.333
7 1 C1 0 1.16 0.0000 -8693.486122133 -8684.800120828 -0.00074754 -0.00011717 0.00022406 0.000 -0.469
7 2 C1 0 1.69 0.0000 -7515.643218583 -7507.864405728 -0.00947822 -0.00777067 0.00029538 0.000 -5.948
7 3 S1 0 2.00 0.0000 -8306.024773948 -8306.024708300 0.00179293 0.00185858 0.00000000 0.000 1.125
7 4 C1 0 1.94 0.0000 -8535.554563933 -8527.232166800 -0.00128882 -0.00109266 0.00006239 0.000 -0.809
7 5 C1 0 1.44 0.0000 -9336.914486842 -9327.647200489 0.00105935 0.00116819 0.00015840 0.000 0.665
7 6 C1 0 1.21 0.0000 -4566.729087644 -4559.062405998 0.00048022 0.00071359 0.00008013 0.000 0.301
8 1 C1 0 1.77 0.0000 -8693.465566627 -8684.780086506 -0.00410215 -0.00440050 0.00007712 0.000 -2.574
8 2 C1 0 1.97 0.0000 -7515.609518586 -7507.830360233 0.00031166 0.00195717 0.00007962 0.000 0.196
8 3 C1 0 1.17 0.0000 -8314.168923884 -8306.008823089 -0.00672634 -0.00657386 0.00032483 0.000 -4.221
8 4 C1 0 1.34 0.0000 -8535.527886129 -8527.204250711 0.00147887 0.00250577 0.00023786 0.000 0.928
8 5 S1 0 2.18 0.0000 -9327.626156095 -9327.626095192 -0.00210507 -0.00204417 0.00000000 0.000 -1.321
8 6 C1 0 1.41 0.0000 -4566.708456863 -4559.041594269 -0.00279912 -0.00279234 0.00010078 0.000 -1.756
8 7 C1 0 1.20 0.0000 -4566.727546406 -4559.059663645 -0.00314492 -0.00271976 0.00020477 0.000 -1.973
9 1 C1 0 0.93 0.0000 -8693.474048892 -8684.786085081 -0.00147125 -0.00059943 0.00039798 0.000 -0.923
9 2 C1 0 1.41 0.0000 -7515.615686186 -7507.834626319 0.00525723 0.00749073 0.00021817 0.000 3.299
9 3 S1 0 2.32 0.0000 -8306.015301119 -8306.015289394 -0.00325224 -0.00324051 0.00000000 0.000 -2.041
9 4 S1 0 3.60 0.0000 -8527.216156025 -8527.216148396 0.00040011 0.00040774 0.00000000 0.000 0.251
9 5 S1 0 2.74 0.0000 -9327.632040537 -9327.632016640 0.00181014 0.00183404 0.00000000 0.000 1.136
9 6 C1 0 0.84 0.0000 -4566.717716790 -4559.047016657 -0.00094588 0.00158493 0.00041564 0.000 -0.594
9 7 C1 0 1.69 0.0000 -4566.731088440 -4559.061930372 0.00442621 0.00481316 0.00007421 0.000 2.777
9 8 C1 0 0.79 0.0000 -4566.691977495 -4559.020996223 0.01962704 0.02142966 0.00029410 0.000 12.316
10 1 S1 0 2.89 0.0000 -8684.793335211 -8684.793320286 0.00123511 0.00125004 0.00000000 0.000 0.775
10 2 S1 0 2.65 0.0000 -7507.854879681 -7507.854865153 -0.00367796 -0.00366343 0.00000000 0.000 -2.308
10 3 S1 0 2.45 0.0000 -8306.020459033 -8306.020447341 0.00067451 0.00068621 0.00000000 0.000 0.423
10 4 S1 0 3.23 0.0000 -8527.225305757 -8527.225296065 0.00033504 0.00034474 0.00000000 0.000 0.210
10 5 S1 0 2.04 0.0000 -9327.642027542 -9327.641981614 0.00090780 0.00095373 0.00000000 0.000 0.570
10 6 C1 0 0.79 0.0000 -4566.684240985 -4559.013395555 0.04117387 0.04429069 0.00052268 0.000 25.837
10 7 C1 0 1.61 0.0000 -4566.749326932 -4559.081266373 -0.00516834 -0.00543817 0.00005347 0.000 -3.243
10 8 C1 0 1.41 0.0000 -4566.722500592 -4559.053790251 -0.00225211 -0.00227971 0.00006092 0.000 -1.413
10 9 C1 0 0.88 0.0000 -4566.743571383 -4559.072465152 -0.01220974 -0.01115496 0.00022822 0.000 -7.662
11 1 S1 0 2.60 0.0000 -8684.791199428 -8684.791176216 -0.00105944 -0.00103622 0.00000000 0.000 -0.665
11 2 C1 0 1.84 0.0000 -7515.623083592 -7507.845286366 -0.00033325 0.00148502 0.00005815 0.000 -0.209
11 3 S1 0 2.47 0.0000 -8306.016729501 -8306.016713447 -0.00002628 -0.00001023 0.00000000 0.000 -0.016
11 4 S1 0 3.52 0.0000 -8527.222404354 -8527.222397644 -0.00119388 -0.00118717 0.00000000 0.000 -0.749
11 5 S1 0 3.52 0.0000 -9327.640195414 -9327.640188094 -0.00169040 -0.00168308 0.00000000 0.000 -1.061
11 6 C1 0 0.83 0.0000 -4566.703113860 -4559.034822485 0.01546397 0.01843344 0.00040585 0.000 9.704
11 7 C1 0 0.84 0.0000 -4566.742268601 -4559.073721812 -0.00494702 -0.00232394 0.00023148 0.000 -3.104
11 8 C1 0 0.79 0.0000 -4566.680566638 -4559.009673365 0.03284482 0.03740685 0.00077499 0.000 20.610
11 9 C1 0 0.85 0.0000 -4566.731602685 -4559.063330125 -0.00707806 -0.00645026 0.00019506 0.000 -4.442
11 10 C1 0 1.58 0.0000 -4566.732599920 -4559.065224586 0.00056865 0.00073995 0.00008967 0.000 0.357
12 1 C1 0 0.90 0.0000 -8693.465623512 -8684.780534746 0.00325578 0.00516762 0.00037683 0.000 2.043
12 2 C1 0 1.46 0.0000 -7515.618100555 -7507.840798736 -0.00085549 0.00153502 0.00042182 0.000 -0.537
12 3 C1 0 1.38 0.0000 -8314.169130836 -8306.011404133 0.00048153 0.00086145 0.00013089 0.000 0.302
12 4 C1 0 1.45 0.0000 -8535.537055992 -8527.216605444 -0.00027618 0.00016740 0.00004191 0.000 -0.173
12 5 C1 0 1.74 0.0000 -9336.901163048 -9327.636082360 -0.00211215 -0.00201498 0.00011469 0.000 -1.325
12 6 C1 0 0.85 0.0000 -4566.708649830 -4559.040321989 0.00442273 0.00849630 0.00053913 0.000 2.775
12 7 C1 0 0.82 0.0000 -4566.711118682 -4559.043475615 0.02069763 0.02348462 0.00037954 0.000 12.988
12 8 C1 0 0.92 0.0000 -4566.709976718 -4559.042810939 -0.00207053 -0.00016835 0.00022275 0.000 -1.299
12 9 C1 0 0.82 0.0000 -4566.699754642 -4559.029991203 0.01926471 0.02245104 0.00033152 0.000 12.089
12 10 C1 0 0.85 0.0000 -4566.733240805 -4559.064859551 -0.00557751 -0.00333265 0.00033427 0.000 -3.500
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110 82 C1 0 0.92 0.0000 -4566.705617443 -4559.037830234 0.00346737 0.00643459 0.00012258 0.000 2.176
110 83 C1 0 0.92 0.0000 -4566.706542695 -4559.040196268 0.00487976 0.00659348 0.00020123 0.000 3.062
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110 89 C1 0 0.84 0.0000 -4566.706115536 -4559.040567804 0.00339407 0.00409835 0.00042062 0.000 2.130
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110 92 C1 0 0.85 0.0000 -4566.703536400 -4559.036189333 0.00775365 0.01035315 0.00037541 0.000 4.865
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110 95 C1 0 1.12 0.0000 -4566.710081507 -4559.043364723 0.00390224 0.00455489 0.00010981 0.000 2.449
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110 97 C1 0 0.79 0.0000 -4566.678398322 -4559.011560687 0.03419426 0.03651663 0.00035002 0.000 21.457
110 98 C1 0 0.89 0.0000 -4566.702537740 -4559.032599411 -0.00913579 -0.00423280 0.00058883 0.000 -5.733
110 99 C1 0 1.06 0.0000 -4566.726944318 -4559.059487702 -0.00925637 -0.00868475 0.00013721 0.000 -5.808
110 100 C1 0 0.81 0.0000 -4566.673836520 -4559.006979229 0.03604770 0.03799893 0.00033385 0.000 22.620
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110 105 C1 0 0.79 0.0000 -4566.656892415 -4558.989871999 0.03696764 0.03842408 0.00030095 0.000 23.198
110 106 C1 0 1.40 0.0000 -4566.716122831 -4559.051447328 -0.00433688 -0.00430121 0.00009154 0.000 -2.721
110 107 C1 0 0.92 0.0000 -4566.726802938 -4559.060052712 -0.00453896 -0.00276132 0.00017598 0.000 -2.848
110 108 C1 0 1.05 0.0000 -4566.684362112 -4559.014244655 0.00910757 0.01010913 0.00023709 0.000 5.715
110 109 C1 0 0.95 0.0000 -4566.726326763 -4559.059945463 -0.00854179 -0.00760185 0.00024207 0.000 -5.360
111 1 S1 0 2.09 0.0000 -8684.783193537 -8684.783167140 0.00042296 0.00044935 0.00000000 0.000 0.265
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111 3 S1 0 2.52 0.0000 -8306.007308998 -8306.007295277 0.00287072 0.00288444 0.00000000 0.000 1.801
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111 5 S1 0 2.51 0.0000 -9327.631757539 -9327.631734226 0.00022398 0.00024729 0.00000000 0.000 0.141
111 6 C1 0 0.84 0.0000 -4566.700136125 -4559.032663050 0.01201653 0.01406937 0.00031951 0.000 7.540
111 7 C1 0 0.85 0.0000 -4566.711645318 -4559.043868042 0.01925108 0.02100633 0.00041238 0.000 12.080
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111 87 C1 0 0.85 0.0000 -4566.713333415 -4559.042199357 0.00523275 0.00943288 0.00031433 0.000 3.284
111 88 C1 0 0.79 0.0000 -4566.652100881 -4558.985353530 0.06178031 0.06466249 0.00058559 0.000 38.768
111 89 C1 0 0.93 0.0000 -4566.719384668 -4559.052580160 -0.00758925 -0.00491218 0.00040112 0.000 -4.762
111 90 C1 0 1.28 0.0000 -4566.714474285 -4559.049470329 -0.00265939 -0.00233909 0.00016945 0.000 -1.669
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111 92 C1 0 0.79 0.0000 -4566.711241056 -4559.040997160 0.00233480 0.00854715 0.00089565 0.000 1.465
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111 94 C1 0 1.09 0.0000 -4566.706657372 -4559.040555525 -0.00321720 -0.00263199 0.00020468 0.000 -2.019
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111 106 C1 0 0.79 0.0000 -4566.656682230 -4558.990159898 0.05738953 0.05998804 0.00061097 0.000 36.013
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111 108 C1 0 0.92 0.0000 -4566.695677795 -4559.025653850 0.00007770 0.00170175 0.00037821 0.000 0.049
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111 110 C1 0 0.85 0.0000 -4566.708313838 -4559.038251905 0.00288154 0.00723348 0.00042784 0.000 1.808
112 1 S1 0 2.93 0.0000 -8684.771182070 -8684.771164608 -0.00085612 -0.00083866 0.00000000 0.000 -0.537
112 2 S1 0 3.26 0.0000 -7507.827570109 -7507.827560665 -0.00061276 -0.00060332 0.00000000 0.000 -0.385
112 3 S1 0 2.45 0.0000 -8305.993216926 -8305.993199786 0.00367225 0.00368939 0.00000000 0.000 2.304
112 4 C1 0 1.93 0.0000 -8535.525429758 -8527.202987104 -0.00179937 -0.00159068 0.00004515 0.000 -1.129
112 5 C1 0 1.66 0.0000 -9336.885515961 -9327.618277838 0.00038550 0.00041313 0.00008162 0.000 0.242
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112 7 C1 0 0.79 0.0000 -4566.695295240 -4559.026282795 0.02337164 0.02530103 0.00030478 0.000 14.666
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112 18 C1 0 0.79 0.0000 -4566.649465835 -4558.980427412 0.05574005 0.05975163 0.00061735 0.000 34.977
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112 23 C1 0 0.79 0.0000 -4566.623527076 -4558.952494633 0.07563452 0.08146637 0.00110321 0.000 47.461
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112 27 C1 0 0.80 0.0000 -4566.686148225 -4559.012986313 0.03098044 0.03738076 0.00075707 0.000 19.441
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112 29 C1 0 0.79 0.0000 -4566.673050949 -4559.003065684 0.03522533 0.03682265 0.00037606 0.000 22.104
112 30 C1 0 1.30 0.0000 -4566.703653616 -4559.038360039 -0.00295482 -0.00265804 0.00007355 0.000 -1.854
112 31 C1 0 0.85 0.0000 -4566.703951049 -4559.035153308 0.00050188 0.00261695 0.00042812 0.000 0.315
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112 33 C1 0 1.16 0.0000 -4566.696269732 -4559.030700790 0.00568133 0.00633113 0.00010464 0.000 3.565
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112 37 C1 0 0.85 0.0000 -4566.723323370 -4559.055568995 -0.01042130 -0.00943770 0.00027955 0.000 -6.539
112 38 C1 0 0.79 0.0000 -4566.640314036 -4558.969986824 0.02808439 0.03141922 0.00049350 0.000 17.623
112 39 C1 0 0.84 0.0000 -4566.723912743 -4559.053622908 -0.02204603 -0.01668028 0.00054483 0.000 -13.834
112 40 C1 0 0.87 0.0000 -4566.666651206 -4558.997886643 0.00118749 0.00277389 0.00022190 0.000 0.745
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112 48 C1 0 0.83 0.0000 -4566.689825061 -4559.021698964 0.01352678 0.01454796 0.00019867 0.000 8.488
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150 97 C1 0 0.82 0.0000 -4566.701565962 -4559.035222848 0.01403325 0.01757373 0.00041421 0.000 8.806
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150 113 C1 0 0.82 0.0000 -4566.697154447 -4559.030790409 0.01163577 0.01291610 0.00028201 0.000 7.302
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150 115 C1 0 0.79 0.0000 -4566.683372981 -4559.013933074 0.02992038 0.03564196 0.00072307 0.000 18.775
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150 118 C1 0 0.79 0.0000 -4566.683913218 -4559.016209156 0.02929713 0.03400056 0.00074011 0.000 18.384
150 119 C1 0 0.85 0.0000 -4566.724243054 -4559.058363212 -0.00196724 -0.00087637 0.00033184 0.000 -1.234
150 120 C1 0 0.92 0.0000 -4566.660320225 -4558.993825255 -0.00438446 -0.00286435 0.00010025 0.000 -2.751
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150 122 C1 0 1.53 0.0000 -4566.713021788 -4559.049804476 -0.00056935 -0.00049090 0.00008283 0.000 -0.357
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150 124 C1 0 1.03 0.0000 -4566.726500305 -4559.058569536 -0.00310426 -0.00161446 0.00009561 0.000 -1.948
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150 126 C1 0 0.85 0.0000 -4566.685159636 -4559.019047836 0.01627030 0.01877798 0.00033847 0.000 10.210
150 127 C1 0 1.42 0.0000 -4566.707174347 -4559.042604244 0.00106111 0.00128114 0.00008740 0.000 0.666
150 128 C1 0 0.85 0.0000 -4566.715294348 -4559.047605856 -0.00351400 0.00108650 0.00063919 0.000 -2.205
150 129 C1 0 0.84 0.0000 -4566.699763856 -4559.034015658 0.01694209 0.01992900 0.00070941 0.000 10.631
150 130 C1 0 0.97 0.0000 -4566.702381650 -4559.036919215 0.01233598 0.01483714 0.00045175 0.000 7.741
150 131 C1 0 1.65 0.0000 -4566.712676717 -4559.049573752 -0.00091320 -0.00093736 0.00003289 0.000 -0.573
150 132 C1 0 1.17 0.0000 -4566.730495504 -4559.066587710 -0.00471524 -0.00414047 0.00017351 0.000 -2.959
150 133 C1 0 0.90 0.0000 -4566.730383677 -4559.064558826 -0.00935788 -0.00766160 0.00023549 0.000 -5.872
150 134 C1 0 0.87 0.0000 -4566.726885325 -4559.062986804 -0.01160564 -0.01115791 0.00026628 0.000 -7.283
150 135 C1 0 0.97 0.0000 -4566.714166515 -4559.049294842 -0.00132916 -0.00023822 0.00010876 0.000 -0.834
150 136 C1 0 0.88 0.0000 -4566.728997599 -4559.063225333 -0.00704452 -0.00610910 0.00033215 0.000 -4.421
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158 12 C1 0 0.85 0.0000 -5099.522338603 -5090.961082310 -0.00783797 -0.00564468 0.00067339 0.000 -4.918
158 13 C1 0 0.82 0.0000 -5099.483857588 -5090.919216235 0.03486277 0.03944956 0.00080073 0.000 21.877
158 14 C1 0 0.79 0.0000 -5099.498131495 -5090.935659028 0.01611891 0.01951993 0.00056333 0.000 10.115
158 15 C1 0 0.79 0.0000 -5099.471594056 -5090.902377091 0.04627988 0.05410534 0.00109392 0.000 29.041
158 16 C1 0 0.78 0.0000 -5099.502453243 -5090.937236900 0.01605183 0.02021862 0.00044197 0.000 10.073
158 17 C1 0 0.79 0.0000 -5099.468396956 -5090.902704694 0.04394637 0.05039984 0.00064960 0.000 27.577
158 18 C1 0 0.85 0.0000 -5099.500793432 -5090.937854167 0.01674150 0.02047998 0.00055725 0.000 10.505
158 19 C1 0 0.79 0.0000 -5099.490356390 -5090.930013555 0.02325331 0.02447379 0.00020670 0.000 14.592
158 20 C1 0 0.92 0.0000 -5099.487869027 -5090.924220654 0.00631454 0.00815484 0.00016189 0.000 3.962
158 21 C1 0 0.95 0.0000 -5099.507368272 -5090.946035571 0.00513918 0.00724105 0.00038398 0.000 3.225
158 22 C1 0 0.85 0.0000 -5099.511716243 -5090.950624801 0.00016356 0.00176992 0.00031589 0.000 0.103
158 23 C1 0 0.91 0.0000 -5099.519978458 -5090.959854675 -0.00848781 -0.00773857 0.00017312 0.000 -5.326
158 24 C1 0 0.95 0.0000 -5099.512164735 -5090.951901758 0.00240086 0.00345575 0.00013063 0.000 1.507
158 25 C1 0 0.88 0.0000 -5099.524105839 -5090.957862853 -0.01239734 -0.00644257 0.00076038 0.000 -7.779
158 26 C1 0 0.79 0.0000 -5099.485941987 -5090.919981423 0.02867717 0.03552180 0.00059879 0.000 17.995
158 27 C1 0 1.34 0.0000 -5099.529495048 -5090.968404408 -0.00003733 0.00011777 0.00010914 0.000 -0.023
158 28 C1 0 0.85 0.0000 -5099.514033004 -5090.953416813 0.00130766 0.00245043 0.00020383 0.000 0.821
158 29 C1 0 0.92 0.0000 -5099.515728623 -5090.947840036 0.00487671 0.01020340 0.00058777 0.000 3.060
158 30 C1 0 1.37 0.0000 -5099.514554813 -5090.955196602 -0.00152696 -0.00133950 0.00011517 0.000 -0.958
158 31 C1 0 0.84 0.0000 -5099.507472047 -5090.944430106 0.00930994 0.01149526 0.00047773 0.000 5.842
158 32 C1 0 0.92 0.0000 -5099.522648087 -5090.960878855 -0.00547844 -0.00392937 0.00028889 0.000 -3.438
158 33 C1 0 0.87 0.0000 -5099.525731652 -5090.964512320 -0.01145154 -0.00932530 0.00065148 0.000 -7.186
158 34 C1 0 0.87 0.0000 -5099.509775857 -5090.944718243 0.00494539 0.00739684 0.00032058 0.000 3.103
158 35 C1 0 0.85 0.0000 -5099.535757731 -5090.968840204 -0.01166408 -0.00565719 0.00069156 0.000 -7.319
158 36 C1 0 0.79 0.0000 -5099.436008346 -5090.870126496 0.04316466 0.04801516 0.00095717 0.000 27.086
158 37 C1 0 0.80 0.0000 -5099.500730282 -5090.935108722 0.02450084 0.02917767 0.00078684 0.000 15.375
158 38 C1 0 0.85 0.0000 -5099.492644515 -5090.927267033 -0.01191703 -0.00770589 0.00067190 0.000 -7.478
158 39 C1 0 0.85 0.0000 -5099.513564043 -5090.950956440 0.00063172 0.00414129 0.00039224 0.000 0.396
158 40 C1 0 0.85 0.0000 -5099.482533478 -5090.918406953 -0.00236573 0.00040868 0.00041596 0.000 -1.485
158 41 C1 0 1.46 0.0000 -5099.509322292 -5090.949824985 0.00462572 0.00502433 0.00008743 0.000 2.903
158 42 C1 0 0.84 0.0000 -5099.498921016 -5090.937585269 0.01347848 0.01451943 0.00029515 0.000 8.458
158 43 C1 0 0.91 0.0000 -5099.527341072 -5090.963876213 -0.00555815 -0.00341164 0.00021536 0.000 -3.488
158 44 C1 0 0.79 0.0000 -5099.484623554 -5090.915442119 0.03687435 0.04524543 0.00090810 0.000 23.139
158 45 C1 0 0.88 0.0000 -5099.514912094 -5090.953869613 0.00003992 0.00198867 0.00022855 0.000 0.025
158 46 C1 0 1.04 0.0000 -5099.508201045 -5090.946170030 0.00331665 0.00608310 0.00047260 0.000 2.081
158 47 C1 0 0.85 0.0000 -5099.518887557 -5090.958752833 -0.00355286 -0.00244040 0.00024175 0.000 -2.229
158 48 C1 0 0.85 0.0000 -5099.522449316 -5090.958945929 -0.00676842 -0.00454391 0.00020277 0.000 -4.247
158 49 C1 0 0.80 0.0000 -5099.481489148 -5090.916304626 0.02536863 0.02712600 0.00035015 0.000 15.919
158 50 C1 0 0.80 0.0000 -5099.495719922 -5090.931198475 0.02068068 0.02528917 0.00055879 0.000 12.977
158 51 C1 0 0.79 0.0000 -5099.487546653 -5090.926254149 0.02562500 0.02698654 0.00040220 0.000 16.080
158 52 C1 0 0.92 0.0000 -5099.522799044 -5090.958050066 -0.00738757 -0.00393113 0.00075212 0.000 -4.636
158 53 C1 0 0.92 0.0000 -5099.491900813 -5090.928201462 -0.00064331 0.00211786 0.00044653 0.000 -0.404
158 54 C1 0 0.85 0.0000 -5099.483665326 -5090.919571003 -0.00631047 -0.00211928 0.00035794 0.000 -3.960
158 55 C1 0 0.85 0.0000 -5099.503455161 -5090.940801053 0.01083324 0.01354714 0.00042794 0.000 6.798
158 56 C1 0 0.85 0.0000 -5099.506568492 -5090.943276054 0.00765726 0.01178664 0.00058249 0.000 4.805
158 57 C1 0 1.74 0.0000 -5099.520567744 -5090.960926722 -0.00616452 -0.00648889 0.00010283 0.000 -3.868
158 58 C1 0 0.81 0.0000 -5099.485952506 -5090.922135810 0.02997252 0.03464269 0.00072177 0.000 18.808
158 59 C1 0 0.83 0.0000 -5099.498482694 -5090.937309345 0.01435933 0.01634088 0.00026947 0.000 9.011
158 60 C1 0 0.84 0.0000 -5099.503120265 -5090.939912702 0.01464427 0.01630012 0.00020634 0.000 9.189
158 61 C1 0 0.85 0.0000 -5099.515866900 -5090.952626104 -0.00376960 0.00018604 0.00036818 0.000 -2.365
158 62 C1 0 0.85 0.0000 -5099.474507237 -5090.906948389 0.00555333 0.01131825 0.00072141 0.000 3.485
158 63 C1 0 0.88 0.0000 -5099.491964318 -5090.927792107 -0.01000731 -0.00831970 0.00026072 0.000 -6.280
158 64 C1 0 0.80 0.0000 -5099.510473899 -5090.948171323 0.00612941 0.00926202 0.00036209 0.000 3.846
158 65 C1 0 0.85 0.0000 -5099.505116182 -5090.940536112 0.00887756 0.01436910 0.00061723 0.000 5.571
158 66 C1 0 0.83 0.0000 -5099.492822891 -5090.929679432 0.01774669 0.01989568 0.00042181 0.000 11.136
158 67 C1 0 0.81 0.0000 -5099.494409738 -5090.931522130 0.01938568 0.02303225 0.00072775 0.000 12.165
158 68 C1 0 0.88 0.0000 -5099.505407989 -5090.938044825 0.00436699 0.01212960 0.00078636 0.000 2.740
158 69 C1 0 0.92 0.0000 -5099.516183554 -5090.955230385 -0.00170832 0.00018482 0.00020074 0.000 -1.072
158 70 C1 0 0.83 0.0000 -5099.513687992 -5090.950749982 0.00639968 0.00732501 0.00039555 0.000 4.016
158 71 C1 0 1.03 0.0000 -5099.523195054 -5090.962964623 -0.01309560 -0.01222806 0.00043165 0.000 -8.218
158 72 C1 0 0.86 0.0000 -5099.519829056 -5090.956986499 -0.00788812 -0.00431289 0.00031424 0.000 -4.950
158 73 C1 0 0.79 0.0000 -5099.500993261 -5090.939033300 0.01681036 0.01975386 0.00049396 0.000 10.549
158 74 C1 0 0.92 0.0000 -5099.494455605 -5090.928849303 0.00060243 0.00286613 0.00022545 0.000 0.378
158 75 C1 0 0.83 0.0000 -5099.505319563 -5090.941664524 0.00718240 0.01157431 0.00044810 0.000 4.507
158 76 C1 0 0.84 0.0000 -5099.499182495 -5090.933957833 0.02034944 0.02390021 0.00052404 0.000 12.769
158 77 C1 0 0.85 0.0000 -5099.502525592 -5090.939249013 0.01157679 0.01574824 0.00050991 0.000 7.265
158 78 C1 0 0.94 0.0000 -5099.506028870 -5090.943254644 0.00216298 0.00303343 0.00011724 0.000 1.357
158 79 C1 0 0.85 0.0000 -5099.524125878 -5090.960324948 -0.00730164 -0.00406785 0.00029967 0.000 -4.582
158 80 C1 0 0.97 0.0000 -5099.521241726 -5090.959886768 -0.00637190 -0.00566236 0.00025374 0.000 -3.998
158 81 C1 0 1.35 0.0000 -5099.512243240 -5090.952696807 0.00248757 0.00288381 0.00011282 0.000 1.561
158 82 C1 0 0.92 0.0000 -5099.511889288 -5090.950929020 -0.00041913 0.00120218 0.00038220 0.000 -0.263
158 83 C1 0 0.79 0.0000 -5099.455506463 -5090.890394268 0.05830133 0.06426186 0.00089290 0.000 36.585
158 84 C1 0 0.85 0.0000 -5099.519478530 -5090.959147668 -0.00695769 -0.00582985 0.00038932 0.000 -4.366
158 85 C1 0 0.92 0.0000 -5099.488855380 -5090.922668585 -0.00288892 0.00101674 0.00025592 0.000 -1.813
158 86 C1 0 0.85 0.0000 -5099.503203387 -5090.935379965 -0.00144362 0.00595152 0.00075300 0.000 -0.906
158 87 C1 0 0.79 0.0000 -5099.516680146 -5090.951473648 0.00198555 0.00502315 0.00055350 0.000 1.246
158 88 C1 0 0.92 0.0000 -5099.514429581 -5090.952026702 -0.00044885 0.00285387 0.00031843 0.000 -0.282
158 89 C1 0 0.79 0.0000 -5099.450553433 -5090.887230146 0.06134151 0.06530238 0.00057528 0.000 38.492
158 90 C1 0 0.79 0.0000 -5099.474692934 -5090.908264988 0.03722150 0.04373080 0.00086440 0.000 23.357
158 91 C1 0 0.87 0.0000 -5099.520835394 -5090.957707310 -0.00827823 -0.00570568 0.00033683 0.000 -5.195
158 92 C1 0 1.63 0.0000 -5099.517262366 -5090.958147251 -0.00358698 -0.00373839 0.00007436 0.000 -2.251
158 93 C1 0 1.03 0.0000 -5099.512062201 -5090.951689130 -0.00365716 -0.00298832 0.00020988 0.000 -2.295
158 94 C1 0 0.85 0.0000 -5099.498030828 -5090.932539232 0.00550888 0.01024885 0.00066193 0.000 3.457
158 95 C1 0 0.84 0.0000 -5099.516927719 -5090.954152865 -0.00055862 0.00163312 0.00034150 0.000 -0.351
158 96 C1 0 1.31 0.0000 -5099.473274408 -5090.911400088 -0.00501144 -0.00501354 0.00011303 0.000 -3.145
158 97 C1 0 0.85 0.0000 -5099.535505955 -5090.974755677 -0.02052803 -0.01881198 0.00066886 0.000 -12.882
158 98 C1 0 0.85 0.0000 -5099.500578919 -5090.935742091 -0.00479162 0.00049089 0.00070691 0.000 -3.007
158 99 C1 0 0.85 0.0000 -5099.541417861 -5090.976613540 -0.02134457 -0.01794421 0.00077467 0.000 -13.394
158 100 C1 0 0.85 0.0000 -5099.516719407 -5090.953567717 -0.00444984 -0.00072318 0.00049289 0.000 -2.792
158 101 C1 0 0.92 0.0000 -5099.515189391 -5090.955116447 -0.00025640 0.00075984 0.00011496 0.000 -0.161
158 102 C1 0 0.79 0.0000 -5099.492295431 -5090.929399307 0.02203758 0.02440904 0.00044521 0.000 13.829
158 103 C1 0 0.79 0.0000 -5099.496266551 -5090.935685943 0.01923563 0.02023735 0.00021366 0.000 12.071
158 104 C1 0 0.85 0.0000 -5099.524421452 -5090.958190684 0.00217817 0.00612255 0.00029103 0.000 1.367
158 105 C1 0 0.98 0.0000 -5099.499166149 -5090.936132165 -0.00292075 0.00003029 0.00039622 0.000 -1.833
158 106 C1 0 0.85 0.0000 -5099.503286531 -5090.939330296 0.01088476 0.01568219 0.00040758 0.000 6.830
158 107 C1 0 0.87 0.0000 -5099.520936404 -5090.958887831 0.00371292 0.00626994 0.00015464 0.000 2.330
158 108 C1 0 1.47 0.0000 -5099.494055791 -5090.930135670 0.00179923 0.00208449 0.00014341 0.000 1.129
158 109 C1 0 0.84 0.0000 -5099.529945660 -5090.966606821 -0.00977534 -0.00639683 0.00029336 0.000 -6.134
158 110 C1 0 0.79 0.0000 -5099.460722944 -5090.895244275 0.05057197 0.05510567 0.00061160 0.000 31.734
158 111 C1 0 0.85 0.0000 -5099.531671163 -5090.968090395 -0.01809044 -0.01473863 0.00064629 0.000 -11.352
158 112 C1 0 0.85 0.0000 -5099.515989331 -5090.950538091 -0.01463813 -0.01047688 0.00041798 0.000 -9.186
158 113 C1 0 0.84 0.0000 -5099.486515192 -5090.921017144 0.02165373 0.02583648 0.00058859 0.000 13.588
158 114 C1 0 0.79 0.0000 -5099.488460748 -5090.921455724 0.02395387 0.03133039 0.00096327 0.000 15.031
158 115 C1 0 1.03 0.0000 -5099.513245472 -5090.952428941 -0.00057341 0.00029321 0.00023989 0.000 -0.360
158 116 C1 0 0.84 0.0000 -5099.521741556 -5090.956335461 -0.00338456 0.00223013 0.00053097 0.000 -2.124
158 117 C1 0 0.85 0.0000 -5099.518932518 -5090.954844861 0.00071031 0.00395864 0.00039119 0.000 0.446
158 118 C1 0 0.85 0.0000 -5099.504330927 -5090.941143172 0.00825813 0.01221365 0.00046255 0.000 5.182
158 119 C1 0 0.85 0.0000 -5099.526147099 -5090.961080312 -0.00449258 -0.00044635 0.00042854 0.000 -2.819
158 120 C1 0 0.85 0.0000 -5099.466352877 -5090.902284499 -0.01103841 -0.00817648 0.00032408 0.000 -6.927
158 121 C1 0 1.05 0.0000 -5099.533721374 -5090.970585087 -0.00487183 -0.00412745 0.00024039 0.000 -3.057
158 122 C1 0 0.85 0.0000 -5099.520304855 -5090.959064684 -0.00847371 -0.00660399 0.00034404 0.000 -5.317
158 123 C1 0 0.84 0.0000 -5099.483785313 -5090.918444515 0.02831918 0.03374659 0.00056992 0.000 17.771
158 124 C1 0 0.85 0.0000 -5099.528586569 -5090.964752077 -0.00581181 -0.00464989 0.00025427 0.000 -3.647
158 125 C1 0 0.82 0.0000 -5099.476541295 -5090.911852043 0.01681854 0.02051704 0.00071279 0.000 10.554
158 126 C1 0 0.92 0.0000 -5099.489189693 -5090.925825462 0.01161895 0.01514746 0.00038200 0.000 7.291
158 127 C1 0 0.85 0.0000 -5099.513607552 -5090.947015325 -0.00599339 0.00001717 0.00070224 0.000 -3.761
158 128 C1 0 0.85 0.0000 -5099.510994623 -5090.950275022 0.00016443 0.00156444 0.00033415 0.000 0.103
158 129 C1 0 0.85 0.0000 -5099.526094880 -5090.966628917 -0.01001022 -0.00953714 0.00024834 0.000 -6.282
158 130 C1 0 0.92 0.0000 -5099.512632451 -5090.950089540 0.00146388 0.00481393 0.00036277 0.000 0.919
158 131 C1 0 0.99 0.0000 -5099.511409973 -5090.950674414 -0.00026775 0.00110909 0.00029949 0.000 -0.168
158 132 C1 0 0.85 0.0000 -5099.529512776 -5090.968036665 -0.00435380 -0.00244231 0.00036389 0.000 -2.732
158 133 C1 0 0.85 0.0000 -5099.512834927 -5090.947737663 0.00756957 0.01230668 0.00033775 0.000 4.750
158 134 C1 0 1.86 0.0000 -5099.517250795 -5090.957689249 -0.00259240 -0.00271324 0.00006347 0.000 -1.627
158 135 C1 0 0.85 0.0000 -5099.511999850 -5090.948881093 0.00021621 0.00332264 0.00053748 0.000 0.136
158 136 C1 0 1.35 0.0000 -5099.525823963 -5090.964656518 -0.00449217 -0.00439317 0.00016481 0.000 -2.819
158 137 C1 0 1.60 0.0000 -5099.510042372 -5090.947704743 -0.00105926 -0.00103556 0.00006438 0.000 -0.665
158 138 C1 0 1.13 0.0000 -5099.504045813 -5090.942005703 -0.00252008 -0.00232450 0.00009758 0.000 -1.581
158 139 C1 0 0.84 0.0000 -5099.520829471 -5090.958774594 -0.00339251 -0.00046757 0.00033860 0.000 -2.129
158 140 C1 0 0.90 0.0000 -5099.526194897 -5090.965216914 -0.00864374 -0.00752377 0.00033957 0.000 -5.424
158 141 C1 0 0.85 0.0000 -5099.511806050 -5090.947814053 0.00039279 0.00304182 0.00037169 0.000 0.246
158 142 C1 0 0.85 0.0000 -5099.518561765 -5090.957232237 -0.00499192 -0.00359644 0.00040540 0.000 -3.132
158 143 C1 0 0.86 0.0000 -5099.489156997 -5090.923123777 0.01438151 0.01948464 0.00048887 0.000 9.025
158 144 C1 0 0.85 0.0000 -5099.503893004 -5090.943238566 0.01097941 0.01259235 0.00027928 0.000 6.890
158 145 C1 0 0.85 0.0000 -5099.538596751 -5090.974619545 -0.01703573 -0.01285459 0.00041895 0.000 -10.690
158 146 C1 0 1.30 0.0000 -5099.516881092 -5090.955976769 -0.00037066 0.00001414 0.00017151 0.000 -0.233
158 147 C1 0 0.84 0.0000 -5099.502567475 -5090.940161291 0.00984589 0.01300429 0.00058573 0.000 6.178
158 148 C1 0 0.79 0.0000 -5099.500015667 -5090.934252841 0.02700316 0.03207769 0.00045674 0.000 16.945
158 149 C1 0 0.85 0.0000 -5099.524416270 -5090.964097305 -0.01136336 -0.01020407 0.00045136 0.000 -7.131
158 150 C1 0 0.91 0.0000 -5099.511116137 -5090.948269712 0.00318541 0.00679949 0.00026319 0.000 1.999
158 151 C1 0 1.02 0.0000 -5099.524649794 -5090.964610785 -0.00745582 -0.00658995 0.00027583 0.000 -4.679
158 152 C1 0 0.85 0.0000 -5099.528697723 -5090.965966941 -0.01213582 -0.00889610 0.00046864 0.000 -7.615
158 153 C1 0 0.92 0.0000 -5099.525043471 -5090.964703914 -0.01173080 -0.01054440 0.00028867 0.000 -7.361
158 154 C1 0 1.63 0.0000 -5099.497916485 -5090.937919145 -0.00437798 -0.00460591 0.00006695 0.000 -2.747
158 155 C1 0 0.85 0.0000 -5099.501180665 -5090.936434872 -0.01157817 -0.00848303 0.00065498 0.000 -7.265
158 156 C1 0 1.66 0.0000 -5099.514593380 -5090.955144518 -0.00023088 -0.00018080 0.00005322 0.000 -0.145
158 157 C1 0 0.85 0.0000 -5099.513925220 -5090.950819360 -0.00157149 0.00228155 0.00042543 0.000 -0.986
Total energy of the molecule: Ecorr (2)= -382236.589264343
Total energy of the molecule: Etotpol(2)= -3.851018361
Total energy of the molecule: Euncorr(2)= -381598.355058670
Total energy of the molecule: Edelta (2)= -638.234205672
The backbone energy EBBcorr (2)= -382268.561451046
The backbone energy EBBuncorr(2)= -381657.544917691
Dipole moment D(xyz),DA(2)= 197.8956510 -56.1858300 144.5330552 251.4146778
ONE ELECTRON ENERGY = -46382483.1276955158
TWO ELECTRON ENERGY = 26056128.1054925323
NUCLEAR REPULSION ENERGY = 19944118.4329386428
-----------------------
TOTAL ENERGY = -382236.5892643426
ELECTRON-ELECTRON POTENTIAL ENERGY = 26056128.1054925323
NUCLEUS-ELECTRON POTENTIAL ENERGY = -46764670.0324602574
NUCLEUS-NUCLEUS POTENTIAL ENERGY = 19944118.4329386428
-----------------------
TOTAL POTENTIAL ENERGY = -764423.4940290824
TOTAL KINETIC ENERGY = 382186.9047647389
VIRIAL RATIO (V/T) = 2.0001300005
The best FMO energy is -382236.589264343
Done with FMO properties.
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 58946.4 ( 982.4 MIN)
TOTAL WALL CLOCK TIME= 10442.7 SECONDS, CPU UTILIZATION IS 564.47%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 58946.4 ( 982.4 MIN)
TOTAL WALL CLOCK TIME= 10442.7 SECONDS, CPU UTILIZATION IS 564.47%
Tim: ini 0.38 mon 630.50 dim 9810.49 trim 0.00 prp 0.04 total 10441.44
Total timing statistics in pairs (CPU,wall) for each rank, sec
Rank total SCF corr DFT CPHF EFP solv ESP geom
-------------------------------------------------------------------------------
1 58946.4 6261.4 49328.0 0.0 0.0 0.0 0.0 0.0 0.0
1 10442.7 1218.6 8591.1 0.0 0.0 0.0 0.0 0.0 0.0
2 58573.1 6269.2 48931.3 0.0 0.0 0.0 0.0 0.0 0.0
2 10442.7 1220.3 8591.7 0.0 0.0 0.0 0.0 0.0 0.0
3 58593.7 6270.8 48950.8 0.0 0.0 0.0 0.0 0.0 0.0
3 10442.7 1220.3 8591.8 0.0 0.0 0.0 0.0 0.0 0.0
4 59023.3 6269.5 49381.6 0.0 0.0 0.0 0.0 0.0 0.0
4 10442.7 1220.3 8591.7 0.0 0.0 0.0 0.0 0.0 0.0
5 58509.2 6272.3 48864.5 0.0 0.0 0.0 0.0 0.0 0.0
5 10442.7 1220.3 8591.8 0.0 0.0 0.0 0.0 0.0 0.0
6 58355.4 6269.1 48713.9 0.0 0.0 0.0 0.0 0.0 0.0
6 10442.7 1220.4 8591.7 0.0 0.0 0.0 0.0 0.0 0.0
7 59175.1 6269.8 49532.9 0.0 0.0 0.0 0.0 0.0 0.0
7 10442.7 1220.3 8591.7 0.0 0.0 0.0 0.0 0.0 0.0
8 57420.0 6269.8 47777.3 0.0 0.0 0.0 0.0 0.0 0.0
8 10442.7 1220.3 8591.7 0.0 0.0 0.0 0.0 0.0 0.0
9 57386.9 5969.3 49538.4 0.0 0.0 0.0 0.0 0.0 0.0
9 10442.3 1171.5 8606.1 0.0 0.0 0.0 0.0 0.0 0.0
10 56843.9 5977.8 48873.6 0.0 0.0 0.0 0.0 0.0 0.0
10 10442.3 1173.4 8606.7 0.0 0.0 0.0 0.0 0.0 0.0
11 57022.9 5978.1 49050.3 0.0 0.0 0.0 0.0 0.0 0.0
11 10442.3 1173.4 8606.7 0.0 0.0 0.0 0.0 0.0 0.0
12 57384.2 5976.5 49343.9 0.0 0.0 0.0 0.0 0.0 0.0
12 10442.3 1173.4 8606.7 0.0 0.0 0.0 0.0 0.0 0.0
13 56886.2 5980.5 48915.1 0.0 0.0 0.0 0.0 0.0 0.0
13 10442.3 1173.4 8606.7 0.0 0.0 0.0 0.0 0.0 0.0
14 56683.9 5976.2 48717.5 0.0 0.0 0.0 0.0 0.0 0.0
14 10442.3 1173.4 8606.7 0.0 0.0 0.0 0.0 0.0 0.0
15 57513.5 5979.6 49541.7 0.0 0.0 0.0 0.0 0.0 0.0
15 10442.3 1173.4 8606.7 0.0 0.0 0.0 0.0 0.0 0.0
16 55791.7 5978.3 47819.2 0.0 0.0 0.0 0.0 0.0 0.0
16 10442.3 1173.5 8606.7 0.0 0.0 0.0 0.0 0.0 0.0
17 55508.4 6310.1 48944.4 0.0 0.0 0.0 0.0 0.0 0.0
17 10442.3 1228.3 8538.0 0.0 0.0 0.0 0.0 0.0 0.0
18 55132.5 6318.7 48349.3 0.0 0.0 0.0 0.0 0.0 0.0
18 10442.3 1229.8 8538.6 0.0 0.0 0.0 0.0 0.0 0.0
19 55368.5 6320.1 48585.0 0.0 0.0 0.0 0.0 0.0 0.0
19 10442.3 1229.8 8538.6 0.0 0.0 0.0 0.0 0.0 0.0
20 55642.9 6319.5 48857.4 0.0 0.0 0.0 0.0 0.0 0.0
20 10442.3 1229.7 8538.6 0.0 0.0 0.0 0.0 0.0 0.0
21 55240.9 6322.1 48450.4 0.0 0.0 0.0 0.0 0.0 0.0
21 10442.3 1229.8 8538.6 0.0 0.0 0.0 0.0 0.0 0.0
22 55056.2 6318.1 48273.0 0.0 0.0 0.0 0.0 0.0 0.0
22 10442.3 1229.8 8538.6 0.0 0.0 0.0 0.0 0.0 0.0
23 55855.0 6320.1 49070.9 0.0 0.0 0.0 0.0 0.0 0.0
23 10442.3 1229.9 8538.6 0.0 0.0 0.0 0.0 0.0 0.0
24 54274.1 6319.5 47489.2 0.0 0.0 0.0 0.0 0.0 0.0
24 10442.3 1229.8 8538.6 0.0 0.0 0.0 0.0 0.0 0.0
25 55383.2 6330.1 48808.5 0.0 0.0 0.0 0.0 0.0 0.0
25 10442.3 1231.4 8562.8 0.0 0.0 0.0 0.0 0.0 0.0
26 55092.2 6337.2 48316.3 0.0 0.0 0.0 0.0 0.0 0.0
26 10442.3 1233.5 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
27 55405.0 6339.0 48615.2 0.0 0.0 0.0 0.0 0.0 0.0
27 10442.3 1233.5 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
28 55907.2 6338.3 49120.8 0.0 0.0 0.0 0.0 0.0 0.0
28 10442.3 1233.5 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
29 55416.5 6341.4 48625.0 0.0 0.0 0.0 0.0 0.0 0.0
29 10442.3 1233.5 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
30 55096.1 6337.6 48310.8 0.0 0.0 0.0 0.0 0.0 0.0
30 10442.3 1233.5 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
31 55806.7 6339.3 49018.7 0.0 0.0 0.0 0.0 0.0 0.0
31 10442.3 1233.5 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
32 54234.8 6339.1 47447.1 0.0 0.0 0.0 0.0 0.0 0.0
32 10442.3 1233.4 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
33 55430.0 5693.8 49480.1 0.0 0.0 0.0 0.0 0.0 0.0
33 10442.3 1120.8 8635.2 0.0 0.0 0.0 0.0 0.0 0.0
34 55264.6 5702.2 49089.1 0.0 0.0 0.0 0.0 0.0 0.0
34 10442.3 1122.1 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
35 55405.8 5702.7 49234.3 0.0 0.0 0.0 0.0 0.0 0.0
35 10442.3 1122.1 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
36 55733.5 5701.5 49561.6 0.0 0.0 0.0 0.0 0.0 0.0
36 10442.3 1122.1 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
37 55201.5 5705.3 49022.2 0.0 0.0 0.0 0.0 0.0 0.0
37 10442.3 1122.2 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
38 55083.6 5700.8 48912.1 0.0 0.0 0.0 0.0 0.0 0.0
38 10442.3 1122.1 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
39 55874.6 5702.6 49698.3 0.0 0.0 0.0 0.0 0.0 0.0
39 10442.3 1122.1 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
40 54163.0 5702.4 47990.3 0.0 0.0 0.0 0.0 0.0 0.0
40 10442.3 1122.1 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
41 55652.5 6409.9 48973.4 0.0 0.0 0.0 0.0 0.0 0.0
41 10442.2 1241.3 8548.5 0.0 0.0 0.0 0.0 0.0 0.0
42 55387.5 6419.7 48496.3 0.0 0.0 0.0 0.0 0.0 0.0
42 10442.2 1243.4 8549.1 0.0 0.0 0.0 0.0 0.0 0.0
43 55711.3 6418.8 48821.7 0.0 0.0 0.0 0.0 0.0 0.0
43 10442.2 1243.4 8549.2 0.0 0.0 0.0 0.0 0.0 0.0
44 55984.2 6418.6 49094.3 0.0 0.0 0.0 0.0 0.0 0.0
44 10442.2 1243.5 8549.1 0.0 0.0 0.0 0.0 0.0 0.0
45 55334.9 6420.9 48441.8 0.0 0.0 0.0 0.0 0.0 0.0
45 10442.2 1243.4 8549.2 0.0 0.0 0.0 0.0 0.0 0.0
46 55223.5 6417.5 48336.3 0.0 0.0 0.0 0.0 0.0 0.0
46 10442.2 1243.4 8549.2 0.0 0.0 0.0 0.0 0.0 0.0
47 56038.0 6420.2 49146.0 0.0 0.0 0.0 0.0 0.0 0.0
47 10442.2 1243.4 8549.2 0.0 0.0 0.0 0.0 0.0 0.0
48 54467.7 6419.0 47579.0 0.0 0.0 0.0 0.0 0.0 0.0
48 10442.2 1243.4 8549.1 0.0 0.0 0.0 0.0 0.0 0.0
49 55386.4 5694.3 49360.2 0.0 0.0 0.0 0.0 0.0 0.0
49 10442.3 1124.7 8620.4 0.0 0.0 0.0 0.0 0.0 0.0
50 54945.6 5706.0 48736.4 0.0 0.0 0.0 0.0 0.0 0.0
50 10442.3 1126.5 8621.0 0.0 0.0 0.0 0.0 0.0 0.0
51 55187.2 5706.9 48976.9 0.0 0.0 0.0 0.0 0.0 0.0
51 10442.3 1126.5 8620.9 0.0 0.0 0.0 0.0 0.0 0.0
52 55402.1 5706.0 49187.1 0.0 0.0 0.0 0.0 0.0 0.0
52 10442.3 1126.5 8621.0 0.0 0.0 0.0 0.0 0.0 0.0
53 55175.4 5708.2 48965.2 0.0 0.0 0.0 0.0 0.0 0.0
53 10442.3 1126.6 8621.0 0.0 0.0 0.0 0.0 0.0 0.0
54 54879.7 5705.2 48673.2 0.0 0.0 0.0 0.0 0.0 0.0
54 10442.3 1126.5 8621.0 0.0 0.0 0.0 0.0 0.0 0.0
55 55696.2 5707.5 49444.2 0.0 0.0 0.0 0.0 0.0 0.0
55 10442.3 1126.5 8621.0 0.0 0.0 0.0 0.0 0.0 0.0
56 53951.7 5706.6 47742.4 0.0 0.0 0.0 0.0 0.0 0.0
56 10442.3 1126.5 8621.0 0.0 0.0 0.0 0.0 0.0 0.0
57 54977.0 5636.7 48996.5 0.0 0.0 0.0 0.0 0.0 0.0
57 10442.2 1109.3 8599.1 0.0 0.0 0.0 0.0 0.0 0.0
58 54675.1 5648.4 48495.7 0.0 0.0 0.0 0.0 0.0 0.0
58 10442.2 1111.2 8599.7 0.0 0.0 0.0 0.0 0.0 0.0
59 54944.9 5648.9 48764.0 0.0 0.0 0.0 0.0 0.0 0.0
59 10442.2 1111.1 8599.7 0.0 0.0 0.0 0.0 0.0 0.0
60 55115.4 5649.0 48935.7 0.0 0.0 0.0 0.0 0.0 0.0
60 10442.2 1111.2 8599.7 0.0 0.0 0.0 0.0 0.0 0.0
61 54588.7 5651.6 48403.6 0.0 0.0 0.0 0.0 0.0 0.0
61 10442.2 1111.1 8599.7 0.0 0.0 0.0 0.0 0.0 0.0
62 54581.9 5648.0 48397.8 0.0 0.0 0.0 0.0 0.0 0.0
62 10442.2 1111.0 8599.7 0.0 0.0 0.0 0.0 0.0 0.0
63 55383.5 5649.8 49145.1 0.0 0.0 0.0 0.0 0.0 0.0
63 10442.2 1111.1 8599.7 0.0 0.0 0.0 0.0 0.0 0.0
64 53706.5 5648.9 47524.9 0.0 0.0 0.0 0.0 0.0 0.0
64 10442.2 1111.2 8599.6 0.0 0.0 0.0 0.0 0.0 0.0
65 55122.9 6102.4 48757.9 0.0 0.0 0.0 0.0 0.0 0.0
65 10442.3 1191.2 8511.3 0.0 0.0 0.0 0.0 0.0 0.0
66 54767.2 6111.3 48150.7 0.0 0.0 0.0 0.0 0.0 0.0
66 10442.3 1193.4 8511.9 0.0 0.0 0.0 0.0 0.0 0.0
67 54960.2 6112.2 48339.2 0.0 0.0 0.0 0.0 0.0 0.0
67 10442.3 1193.3 8511.9 0.0 0.0 0.0 0.0 0.0 0.0
68 55201.1 6111.2 48584.0 0.0 0.0 0.0 0.0 0.0 0.0
68 10442.3 1193.3 8512.0 0.0 0.0 0.0 0.0 0.0 0.0
69 54900.1 6114.9 48277.9 0.0 0.0 0.0 0.0 0.0 0.0
69 10442.3 1193.3 8511.9 0.0 0.0 0.0 0.0 0.0 0.0
70 54637.6 6110.7 48022.8 0.0 0.0 0.0 0.0 0.0 0.0
70 10442.3 1193.3 8511.9 0.0 0.0 0.0 0.0 0.0 0.0
71 55513.4 6112.6 48897.2 0.0 0.0 0.0 0.0 0.0 0.0
71 10442.3 1193.3 8511.9 0.0 0.0 0.0 0.0 0.0 0.0
72 53817.0 6111.3 47199.4 0.0 0.0 0.0 0.0 0.0 0.0
72 10442.3 1193.3 8511.9 0.0 0.0 0.0 0.0 0.0 0.0
73 55180.1 5922.0 48966.2 0.0 0.0 0.0 0.0 0.0 0.0
73 10442.3 1162.5 8551.2 0.0 0.0 0.0 0.0 0.0 0.0
74 54945.1 5930.3 48495.6 0.0 0.0 0.0 0.0 0.0 0.0
74 10442.3 1163.9 8551.8 0.0 0.0 0.0 0.0 0.0 0.0
75 55046.1 5931.2 48593.1 0.0 0.0 0.0 0.0 0.0 0.0
75 10442.3 1163.8 8551.8 0.0 0.0 0.0 0.0 0.0 0.0
76 55257.6 5930.5 48811.5 0.0 0.0 0.0 0.0 0.0 0.0
76 10442.3 1163.9 8551.8 0.0 0.0 0.0 0.0 0.0 0.0
77 54960.3 5934.2 48502.5 0.0 0.0 0.0 0.0 0.0 0.0
77 10442.3 1163.8 8551.8 0.0 0.0 0.0 0.0 0.0 0.0
78 54681.1 5930.0 48232.2 0.0 0.0 0.0 0.0 0.0 0.0
78 10442.3 1163.9 8551.8 0.0 0.0 0.0 0.0 0.0 0.0
79 55698.6 5932.6 49244.8 0.0 0.0 0.0 0.0 0.0 0.0
79 10442.3 1163.8 8551.8 0.0 0.0 0.0 0.0 0.0 0.0
80 53882.4 5931.8 47429.9 0.0 0.0 0.0 0.0 0.0 0.0
80 10442.3 1163.8 8551.8 0.0 0.0 0.0 0.0 0.0 0.0
81 55092.6 5772.7 48952.3 0.0 0.0 0.0 0.0 0.0 0.0
81 10442.3 1136.1 8569.0 0.0 0.0 0.0 0.0 0.0 0.0
82 54953.9 5782.9 48616.2 0.0 0.0 0.0 0.0 0.0 0.0
82 10442.3 1137.3 8569.6 0.0 0.0 0.0 0.0 0.0 0.0
83 55097.0 5784.1 48753.3 0.0 0.0 0.0 0.0 0.0 0.0
83 10442.3 1137.6 8569.6 0.0 0.0 0.0 0.0 0.0 0.0
84 55249.7 5783.2 48909.5 0.0 0.0 0.0 0.0 0.0 0.0
84 10442.3 1137.7 8569.6 0.0 0.0 0.0 0.0 0.0 0.0
85 54753.1 5785.4 48412.9 0.0 0.0 0.0 0.0 0.0 0.0
85 10442.3 1137.6 8569.6 0.0 0.0 0.0 0.0 0.0 0.0
86 54812.9 5781.9 48479.8 0.0 0.0 0.0 0.0 0.0 0.0
86 10442.3 1137.6 8569.6 0.0 0.0 0.0 0.0 0.0 0.0
87 55466.1 5784.3 49083.6 0.0 0.0 0.0 0.0 0.0 0.0
87 10442.3 1137.6 8569.6 0.0 0.0 0.0 0.0 0.0 0.0
88 53896.5 5782.8 47562.0 0.0 0.0 0.0 0.0 0.0 0.0
88 10442.3 1137.4 8569.6 0.0 0.0 0.0 0.0 0.0 0.0
89 55524.7 5748.7 49450.6 0.0 0.0 0.0 0.0 0.0 0.0
89 10442.3 1130.1 8603.3 0.0 0.0 0.0 0.0 0.0 0.0
90 55057.9 5759.3 48790.4 0.0 0.0 0.0 0.0 0.0 0.0
90 10442.3 1131.7 8603.9 0.0 0.0 0.0 0.0 0.0 0.0
91 55322.9 5759.6 49054.2 0.0 0.0 0.0 0.0 0.0 0.0
91 10442.3 1131.6 8604.0 0.0 0.0 0.0 0.0 0.0 0.0
92 55447.9 5759.2 49183.2 0.0 0.0 0.0 0.0 0.0 0.0
92 10442.3 1131.8 8603.9 0.0 0.0 0.0 0.0 0.0 0.0
93 55008.2 5761.4 48734.4 0.0 0.0 0.0 0.0 0.0 0.0
93 10442.3 1131.8 8603.9 0.0 0.0 0.0 0.0 0.0 0.0
94 54999.0 5758.8 48731.6 0.0 0.0 0.0 0.0 0.0 0.0
94 10442.3 1131.8 8603.9 0.0 0.0 0.0 0.0 0.0 0.0
95 55711.4 5760.5 49396.2 0.0 0.0 0.0 0.0 0.0 0.0
95 10442.3 1131.8 8603.9 0.0 0.0 0.0 0.0 0.0 0.0
96 54123.0 5760.1 47849.9 0.0 0.0 0.0 0.0 0.0 0.0
96 10442.3 1131.8 8603.9 0.0 0.0 0.0 0.0 0.0 0.0
97 55345.1 5780.1 49256.6 0.0 0.0 0.0 0.0 0.0 0.0
97 10442.2 1134.4 8647.3 0.0 0.0 0.0 0.0 0.0 0.0
98 55213.4 5791.9 48944.4 0.0 0.0 0.0 0.0 0.0 0.0
98 10442.2 1136.2 8648.0 0.0 0.0 0.0 0.0 0.0 0.0
99 55285.7 5792.6 49013.8 0.0 0.0 0.0 0.0 0.0 0.0
99 10442.2 1136.4 8648.0 0.0 0.0 0.0 0.0 0.0 0.0
100 55415.3 5791.8 49145.0 0.0 0.0 0.0 0.0 0.0 0.0
100 10442.2 1136.3 8647.9 0.0 0.0 0.0 0.0 0.0 0.0
101 55121.3 5794.2 48849.5 0.0 0.0 0.0 0.0 0.0 0.0
101 10442.2 1136.4 8648.0 0.0 0.0 0.0 0.0 0.0 0.0
102 55063.1 5790.6 48795.2 0.0 0.0 0.0 0.0 0.0 0.0
102 10442.2 1136.4 8648.0 0.0 0.0 0.0 0.0 0.0 0.0
103 55769.9 5793.1 49453.7 0.0 0.0 0.0 0.0 0.0 0.0
103 10442.2 1136.4 8647.9 0.0 0.0 0.0 0.0 0.0 0.0
104 54003.0 5792.5 47733.7 0.0 0.0 0.0 0.0 0.0 0.0
104 10442.2 1136.4 8647.9 0.0 0.0 0.0 0.0 0.0 0.0
105 54925.2 5759.5 48799.0 0.0 0.0 0.0 0.0 0.0 0.0
105 10442.3 1134.9 8563.4 0.0 0.0 0.0 0.0 0.0 0.0
106 54572.3 5769.1 48268.1 0.0 0.0 0.0 0.0 0.0 0.0
106 10442.3 1136.7 8564.0 0.0 0.0 0.0 0.0 0.0 0.0
107 54809.5 5769.7 48504.9 0.0 0.0 0.0 0.0 0.0 0.0
107 10442.3 1136.5 8564.0 0.0 0.0 0.0 0.0 0.0 0.0
108 55058.3 5769.5 48743.5 0.0 0.0 0.0 0.0 0.0 0.0
108 10442.3 1136.5 8564.1 0.0 0.0 0.0 0.0 0.0 0.0
109 54625.4 5771.5 48318.3 0.0 0.0 0.0 0.0 0.0 0.0
109 10442.3 1136.7 8564.1 0.0 0.0 0.0 0.0 0.0 0.0
110 54491.4 5768.7 48188.1 0.0 0.0 0.0 0.0 0.0 0.0
110 10442.3 1136.7 8564.0 0.0 0.0 0.0 0.0 0.0 0.0
111 55186.4 5770.8 48837.9 0.0 0.0 0.0 0.0 0.0 0.0
111 10442.3 1136.6 8564.0 0.0 0.0 0.0 0.0 0.0 0.0
112 53528.5 5770.2 47222.9 0.0 0.0 0.0 0.0 0.0 0.0
112 10442.3 1136.7 8564.0 0.0 0.0 0.0 0.0 0.0 0.0
113 55589.6 5789.2 49489.6 0.0 0.0 0.0 0.0 0.0 0.0
113 10442.7 1142.1 8649.4 0.0 0.0 0.0 0.0 0.0 0.0
114 55267.7 5800.3 48992.4 0.0 0.0 0.0 0.0 0.0 0.0
114 10442.7 1143.8 8650.1 0.0 0.0 0.0 0.0 0.0 0.0
115 55348.9 5801.2 49074.2 0.0 0.0 0.0 0.0 0.0 0.0
115 10442.7 1143.8 8650.1 0.0 0.0 0.0 0.0 0.0 0.0
116 55639.2 5800.2 49365.2 0.0 0.0 0.0 0.0 0.0 0.0
116 10442.7 1143.8 8650.1 0.0 0.0 0.0 0.0 0.0 0.0
117 55339.0 5803.2 49061.5 0.0 0.0 0.0 0.0 0.0 0.0
117 10442.7 1143.8 8650.1 0.0 0.0 0.0 0.0 0.0 0.0
118 55154.7 5800.3 48880.1 0.0 0.0 0.0 0.0 0.0 0.0
118 10442.7 1143.8 8650.1 0.0 0.0 0.0 0.0 0.0 0.0
119 55828.6 5802.1 49504.5 0.0 0.0 0.0 0.0 0.0 0.0
119 10442.7 1143.8 8650.1 0.0 0.0 0.0 0.0 0.0 0.0
120 54217.1 5802.2 47939.7 0.0 0.0 0.0 0.0 0.0 0.0
120 10442.7 1143.9 8650.1 0.0 0.0 0.0 0.0 0.0 0.0
121 55221.2 5727.5 49170.3 0.0 0.0 0.0 0.0 0.0 0.0
121 10442.3 1128.8 8612.2 0.0 0.0 0.0 0.0 0.0 0.0
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978 10442.6 1143.2 8642.9 0.0 0.0 0.0 0.0 0.0 0.0
979 55177.8 5801.2 48873.8 0.0 0.0 0.0 0.0 0.0 0.0
979 10442.6 1143.2 8642.9 0.0 0.0 0.0 0.0 0.0 0.0
980 55487.5 5800.2 49183.6 0.0 0.0 0.0 0.0 0.0 0.0
980 10442.6 1143.2 8642.8 0.0 0.0 0.0 0.0 0.0 0.0
981 55194.9 5803.4 48890.9 0.0 0.0 0.0 0.0 0.0 0.0
981 10442.6 1143.3 8642.8 0.0 0.0 0.0 0.0 0.0 0.0
982 55082.7 5800.0 48779.9 0.0 0.0 0.0 0.0 0.0 0.0
982 10442.6 1143.2 8642.8 0.0 0.0 0.0 0.0 0.0 0.0
983 55829.3 5802.2 49486.4 0.0 0.0 0.0 0.0 0.0 0.0
983 10442.6 1143.2 8642.8 0.0 0.0 0.0 0.0 0.0 0.0
984 53859.8 5800.6 47561.2 0.0 0.0 0.0 0.0 0.0 0.0
984 10442.6 1143.2 8642.8 0.0 0.0 0.0 0.0 0.0 0.0
985 55594.4 5842.6 49445.7 0.0 0.0 0.0 0.0 0.0 0.0
985 10442.6 1150.4 8635.2 0.0 0.0 0.0 0.0 0.0 0.0
986 55176.8 5853.4 48846.5 0.0 0.0 0.0 0.0 0.0 0.0
986 10442.6 1151.7 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
987 55363.3 5855.2 49030.1 0.0 0.0 0.0 0.0 0.0 0.0
987 10442.6 1151.7 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
988 55723.9 5854.3 49380.1 0.0 0.0 0.0 0.0 0.0 0.0
988 10442.6 1151.7 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
989 55356.9 5856.7 49019.8 0.0 0.0 0.0 0.0 0.0 0.0
989 10442.6 1151.7 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
990 55091.8 5852.8 48761.2 0.0 0.0 0.0 0.0 0.0 0.0
990 10442.6 1151.7 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
991 55782.4 5854.5 49437.6 0.0 0.0 0.0 0.0 0.0 0.0
991 10442.6 1151.7 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
992 54153.7 5854.4 47823.0 0.0 0.0 0.0 0.0 0.0 0.0
992 10442.6 1151.7 8635.8 0.0 0.0 0.0 0.0 0.0 0.0
993 55369.3 5790.2 49271.5 0.0 0.0 0.0 0.0 0.0 0.0
993 10442.6 1142.1 8635.9 0.0 0.0 0.0 0.0 0.0 0.0
994 54914.3 5801.8 48637.3 0.0 0.0 0.0 0.0 0.0 0.0
994 10442.6 1144.0 8636.6 0.0 0.0 0.0 0.0 0.0 0.0
995 55024.8 5802.3 48740.8 0.0 0.0 0.0 0.0 0.0 0.0
995 10442.6 1144.1 8636.6 0.0 0.0 0.0 0.0 0.0 0.0
996 55616.6 5801.8 49324.0 0.0 0.0 0.0 0.0 0.0 0.0
996 10442.6 1144.1 8636.6 0.0 0.0 0.0 0.0 0.0 0.0
997 55014.6 5803.3 48733.0 0.0 0.0 0.0 0.0 0.0 0.0
997 10442.6 1144.1 8636.6 0.0 0.0 0.0 0.0 0.0 0.0
998 54934.2 5800.8 48654.8 0.0 0.0 0.0 0.0 0.0 0.0
998 10442.6 1144.2 8636.5 0.0 0.0 0.0 0.0 0.0 0.0
999 55861.9 5802.5 49548.1 0.0 0.0 0.0 0.0 0.0 0.0
999 10442.6 1144.2 8636.5 0.0 0.0 0.0 0.0 0.0 0.0
1000 54166.9 5802.0 47884.7 0.0 0.0 0.0 0.0 0.0 0.0
1000 10442.6 1144.2 8636.5 0.0 0.0 0.0 0.0 0.0 0.0
1001 55378.0 5813.2 49228.6 0.0 0.0 0.0 0.0 0.0 0.0
1001 10442.3 1141.8 8580.6 0.0 0.0 0.0 0.0 0.0 0.0
1002 55054.8 5824.8 48710.7 0.0 0.0 0.0 0.0 0.0 0.0
1002 10442.3 1143.3 8581.2 0.0 0.0 0.0 0.0 0.0 0.0
1003 55029.5 5825.1 48684.5 0.0 0.0 0.0 0.0 0.0 0.0
1003 10442.3 1143.3 8581.3 0.0 0.0 0.0 0.0 0.0 0.0
1004 55458.1 5824.3 49108.4 0.0 0.0 0.0 0.0 0.0 0.0
1004 10442.3 1143.3 8581.2 0.0 0.0 0.0 0.0 0.0 0.0
1005 55114.3 5827.3 48768.1 0.0 0.0 0.0 0.0 0.0 0.0
1005 10442.3 1143.4 8581.2 0.0 0.0 0.0 0.0 0.0 0.0
1006 54881.8 5823.5 48537.9 0.0 0.0 0.0 0.0 0.0 0.0
1006 10442.3 1143.4 8581.2 0.0 0.0 0.0 0.0 0.0 0.0
1007 55619.1 5825.8 49239.9 0.0 0.0 0.0 0.0 0.0 0.0
1007 10442.3 1143.4 8581.2 0.0 0.0 0.0 0.0 0.0 0.0
1008 53965.3 5825.1 47618.8 0.0 0.0 0.0 0.0 0.0 0.0
1008 10442.3 1143.4 8581.2 0.0 0.0 0.0 0.0 0.0 0.0
1009 55151.5 5754.5 49062.6 0.0 0.0 0.0 0.0 0.0 0.0
1009 10442.3 1133.4 8585.5 0.0 0.0 0.0 0.0 0.0 0.0
1010 54926.3 5766.1 48637.2 0.0 0.0 0.0 0.0 0.0 0.0
1010 10442.3 1135.3 8586.2 0.0 0.0 0.0 0.0 0.0 0.0
1011 54958.6 5766.6 48669.1 0.0 0.0 0.0 0.0 0.0 0.0
1011 10442.3 1135.3 8586.2 0.0 0.0 0.0 0.0 0.0 0.0
1012 55311.9 5766.3 49013.2 0.0 0.0 0.0 0.0 0.0 0.0
1012 10442.3 1135.3 8586.2 0.0 0.0 0.0 0.0 0.0 0.0
1013 54893.6 5768.3 48602.0 0.0 0.0 0.0 0.0 0.0 0.0
1013 10442.3 1135.3 8586.2 0.0 0.0 0.0 0.0 0.0 0.0
1014 54727.1 5765.0 48443.4 0.0 0.0 0.0 0.0 0.0 0.0
1014 10442.3 1135.3 8586.2 0.0 0.0 0.0 0.0 0.0 0.0
1015 55412.0 5767.2 49087.6 0.0 0.0 0.0 0.0 0.0 0.0
1015 10442.3 1135.2 8586.1 0.0 0.0 0.0 0.0 0.0 0.0
1016 53725.3 5766.9 47440.2 0.0 0.0 0.0 0.0 0.0 0.0
1016 10442.3 1135.4 8586.1 0.0 0.0 0.0 0.0 0.0 0.0
1017 58243.3 6031.7 49685.3 0.0 0.0 0.0 0.0 0.0 0.0
1017 10442.3 1186.8 8628.6 0.0 0.0 0.0 0.0 0.0 0.0
1018 57736.7 6044.5 49115.0 0.0 0.0 0.0 0.0 0.0 0.0
1018 10442.3 1188.6 8629.3 0.0 0.0 0.0 0.0 0.0 0.0
1019 57762.6 6044.7 49142.0 0.0 0.0 0.0 0.0 0.0 0.0
1019 10442.3 1188.8 8629.3 0.0 0.0 0.0 0.0 0.0 0.0
1020 58052.5 6044.2 49431.7 0.0 0.0 0.0 0.0 0.0 0.0
1020 10442.3 1188.6 8629.3 0.0 0.0 0.0 0.0 0.0 0.0
1021 57689.4 6046.8 49066.1 0.0 0.0 0.0 0.0 0.0 0.0
1021 10442.3 1188.7 8629.3 0.0 0.0 0.0 0.0 0.0 0.0
1022 57625.4 6044.9 49002.8 0.0 0.0 0.0 0.0 0.0 0.0
1022 10442.3 1188.8 8629.3 0.0 0.0 0.0 0.0 0.0 0.0
1023 58227.5 6044.9 49560.4 0.0 0.0 0.0 0.0 0.0 0.0
1023 10442.3 1188.8 8629.3 0.0 0.0 0.0 0.0 0.0 0.0
1024 56578.0 6047.1 47953.2 0.0 0.0 0.0 0.0 0.0 0.0
1024 10442.3 1188.8 8629.3 0.0 0.0 0.0 0.0 0.0 0.0
averaged 55174.6 5823.2 48788.8 0.0 0.0 0.0 0.0 0.0 0.0
averaged 10442.4 1145.6 8607.9 0.0 0.0 0.0 0.0 0.0 0.0
FMO timing statistics in pairs (CPU,wall) for each rank, sec
Rank FMOini FMOscf1 FMOdm1 FMOsyn1 FMOscf2 FMOes2 FMOsyn2 FMOscf3 FMOsyn3
-------------------------------------------------------------------------------
1 3.3 3654.5 0.8 0.0 55273.7 0.0 11.6 0.0 0.0
1 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
2 3.7 3650.2 0.9 0.0 54889.7 0.0 26.4 0.0 0.0
2 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
3 3.7 3651.3 0.9 0.0 54909.7 0.0 26.0 0.0 0.0
3 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
4 3.8 3650.4 1.0 0.0 55340.0 0.0 26.1 0.0 0.0
4 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
5 3.8 3656.1 0.9 0.0 54820.0 0.0 26.3 0.0 0.0
5 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
6 3.6 3652.2 0.9 0.0 54670.1 0.0 26.4 0.0 0.0
6 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
7 3.8 3651.1 1.0 0.0 55491.3 0.0 25.8 0.0 0.0
7 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
8 3.8 3650.9 1.0 0.0 53735.8 0.0 26.2 0.0 0.0
8 7.9 619.8 3.1 0.0 9764.1 0.0 40.5 0.0 0.0
9 3.8 1916.6 1.0 93.1 55356.3 0.0 13.4 0.0 0.0
9 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
10 4.0 1914.9 1.0 191.5 54702.4 0.0 28.0 0.0 0.0
10 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
11 4.0 1916.4 1.0 193.4 54878.1 0.0 27.8 0.0 0.0
11 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
12 4.0 1917.5 1.0 262.9 55169.2 0.0 27.6 0.0 0.0
12 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
13 3.9 1916.3 0.9 189.9 54745.5 0.0 27.6 0.0 0.0
13 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
14 3.9 1915.8 0.9 189.6 54544.1 0.0 27.4 0.0 0.0
14 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
15 4.1 1915.0 1.0 190.7 55372.7 0.0 27.8 0.0 0.0
15 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
16 4.0 1913.5 1.0 192.5 53650.4 0.0 28.1 0.0 0.0
16 7.9 325.4 3.1 294.4 9761.5 0.0 42.6 0.0 0.0
17 3.4 57.1 1.0 195.0 55239.5 0.0 10.0 0.0 0.0
17 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
18 3.7 56.3 0.9 395.5 54654.3 0.0 19.5 0.0 0.0
18 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
19 3.8 57.2 0.9 394.1 54890.7 0.0 19.7 0.0 0.0
19 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
20 3.7 56.4 0.9 397.0 55163.3 0.0 19.4 0.0 0.0
20 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
21 3.8 56.6 0.9 399.0 54758.6 0.0 19.9 0.0 0.0
21 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
22 3.8 56.3 0.9 396.0 54577.7 0.0 19.5 0.0 0.0
22 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
23 3.7 57.6 0.9 394.4 55376.7 0.0 19.6 0.0 0.0
23 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
24 3.8 55.4 1.0 396.1 53796.1 0.0 19.6 0.0 0.0
24 7.9 10.3 3.1 609.5 9774.1 0.0 30.0 0.0 0.0
25 3.5 57.4 1.1 194.5 55123.7 0.0 0.5 0.0 0.0
25 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
26 3.7 56.9 0.9 388.0 54639.7 0.0 0.9 0.0 0.0
26 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
27 3.8 57.6 1.0 399.7 54939.6 0.0 1.0 0.0 0.0
27 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
28 3.8 56.8 0.9 397.3 55445.3 0.0 1.0 0.0 0.0
28 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
29 3.8 57.1 0.9 399.2 54952.5 0.0 0.9 0.0 0.0
29 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
30 3.7 57.1 1.0 396.4 54634.7 0.0 1.0 0.0 0.0
30 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
31 3.9 57.9 1.0 397.0 55343.6 0.0 1.0 0.0 0.0
31 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
32 3.8 55.8 1.0 397.2 53773.9 0.0 0.9 0.0 0.0
32 7.9 10.4 3.1 609.5 9802.7 0.0 1.5 0.0 0.0
33 3.5 56.7 1.0 195.5 55158.1 0.0 12.8 0.0 0.0
33 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
34 3.8 55.9 1.1 397.9 54776.8 0.0 26.8 0.0 0.0
34 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
35 3.7 56.8 0.9 394.1 54921.9 0.0 26.5 0.0 0.0
35 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
36 3.7 55.9 0.9 395.4 55248.9 0.0 26.6 0.0 0.0
36 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
37 3.7 56.3 0.8 399.0 54713.1 0.0 26.5 0.0 0.0
37 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
38 3.7 56.2 0.9 395.6 54598.6 0.0 26.7 0.0 0.0
38 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
39 3.8 57.2 0.9 398.2 55385.6 0.0 26.7 0.0 0.0
39 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
40 3.7 55.2 0.9 395.1 53679.4 0.0 26.6 0.0 0.0
40 7.9 10.4 3.1 609.4 9763.3 0.0 40.8 0.0 0.0
41 3.5 109.0 0.9 190.9 55341.9 0.0 3.9 0.0 0.0
41 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
42 3.7 107.6 1.0 389.2 54876.5 0.0 7.3 0.0 0.0
42 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
43 3.6 108.9 0.9 388.5 55199.9 0.0 7.3 0.0 0.0
43 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
44 3.8 107.1 1.0 388.5 55474.0 0.0 7.5 0.0 0.0
44 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
45 3.7 107.6 0.8 389.9 54823.5 0.0 7.3 0.0 0.0
45 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
46 3.7 108.2 0.9 387.2 54714.0 0.0 7.4 0.0 0.0
46 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
47 3.8 109.1 0.9 389.2 55525.4 0.0 7.4 0.0 0.0
47 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
48 3.6 105.9 0.8 387.0 53960.7 0.0 7.4 0.0 0.0
48 7.9 22.1 3.1 597.7 9792.7 0.0 11.3 0.0 0.0
49 4.3 54.0 1.3 258.0 55044.3 0.0 21.4 0.0 0.0
49 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
50 4.4 53.5 1.2 419.6 54429.4 0.0 34.8 0.0 0.0
50 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
51 4.4 54.1 1.2 418.2 54671.6 0.0 34.9 0.0 0.0
51 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
52 4.5 53.2 1.3 420.6 54884.9 0.0 34.9 0.0 0.0
52 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
53 4.5 53.6 1.2 417.8 54660.7 0.0 34.9 0.0 0.0
53 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
54 4.4 53.6 1.2 417.1 54365.9 0.0 34.8 0.0 0.0
54 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
55 4.4 54.5 1.2 419.4 55179.0 0.0 34.9 0.0 0.0
55 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
56 4.4 52.5 1.2 418.9 53437.1 0.0 34.9 0.0 0.0
56 7.9 9.9 3.1 609.9 9753.4 0.0 50.8 0.0 0.0
57 4.3 60.3 1.3 254.2 54617.5 0.0 36.3 0.0 0.0
57 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
58 4.4 59.8 1.2 417.1 54129.7 0.0 60.2 0.0 0.0
58 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
59 4.4 60.4 1.2 417.7 54397.9 0.0 60.4 0.0 0.0
59 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
60 4.4 59.5 1.2 417.2 54570.6 0.0 59.7 0.0 0.0
60 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
61 4.4 59.8 1.2 419.0 54041.4 0.0 60.1 0.0 0.0
61 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
62 4.4 59.6 1.2 420.3 54033.3 0.0 60.3 0.0 0.0
62 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
63 4.5 60.8 1.3 417.6 54836.4 0.0 60.3 0.0 0.0
63 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
64 4.4 58.8 1.3 418.5 53160.5 0.0 60.2 0.0 0.0
64 7.9 11.0 3.1 608.8 9716.6 0.0 87.5 0.0 0.0
65 3.7 54.5 0.9 184.9 54850.4 0.0 26.2 0.0 0.0
65 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
66 3.9 53.8 1.0 396.9 54253.0 0.0 56.5 0.0 0.0
66 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
67 3.8 54.7 0.9 399.5 54441.8 0.0 57.4 0.0 0.0
67 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
68 3.9 53.7 0.9 396.8 54686.6 0.0 57.2 0.0 0.0
68 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
69 3.9 54.0 1.0 398.9 54383.7 0.0 56.6 0.0 0.0
69 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
70 3.7 54.0 0.8 395.8 54124.5 0.0 56.6 0.0 0.0
70 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
71 4.0 54.9 1.0 394.4 55000.3 0.0 56.7 0.0 0.0
71 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
72 3.8 52.9 0.9 397.1 53303.1 0.0 57.1 0.0 0.0
72 7.9 9.9 3.1 609.9 9716.8 0.0 87.4 0.0 0.0
73 3.3 108.0 0.8 189.6 54848.0 0.0 28.0 0.0 0.0
73 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
74 3.8 105.8 1.0 387.2 54388.3 0.0 56.9 0.0 0.0
74 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
75 3.8 107.5 0.9 389.7 54485.1 0.0 56.7 0.0 0.0
75 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
76 2.9 106.8 0.1 384.7 54704.4 0.0 56.5 0.0 0.0
76 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
77 3.7 106.7 0.9 391.0 54398.4 0.0 57.3 0.0 0.0
77 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
78 3.9 106.5 1.0 386.9 54124.1 0.0 56.4 0.0 0.0
78 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
79 3.8 108.5 0.9 388.2 55137.8 0.0 57.1 0.0 0.0
79 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
80 3.8 104.3 1.0 388.2 53326.2 0.0 56.8 0.0 0.0
80 7.9 22.0 3.1 597.8 9716.7 0.0 87.5 0.0 0.0
81 4.2 106.4 1.2 248.8 54692.8 0.0 36.0 0.0 0.0
81 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
82 4.5 105.0 1.2 411.1 54369.3 0.0 60.2 0.0 0.0
82 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
83 4.4 106.6 1.2 410.7 54511.3 0.0 60.0 0.0 0.0
83 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
84 4.4 104.7 1.2 409.6 54666.9 0.0 60.1 0.0 0.0
84 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
85 4.4 105.7 1.2 411.8 54167.2 0.0 60.0 0.0 0.0
85 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
86 4.4 105.6 1.2 407.7 54231.3 0.0 60.0 0.0 0.0
86 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
87 4.5 107.7 1.3 409.5 54880.4 0.0 60.1 0.0 0.0
87 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
88 4.4 103.8 1.2 408.4 53315.9 0.0 60.0 0.0 0.0
88 7.9 21.9 3.1 597.9 9716.6 0.0 87.5 0.0 0.0
89 4.2 54.8 1.2 251.3 55184.1 0.0 26.0 0.0 0.0
89 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
90 4.5 54.2 1.3 416.4 54535.5 0.0 43.5 0.0 0.0
90 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
91 4.5 54.9 1.3 417.3 54799.0 0.0 43.3 0.0 0.0
91 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
92 4.4 54.0 1.2 413.6 54929.1 0.0 42.9 0.0 0.0
92 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
93 4.4 54.3 1.2 419.8 54482.5 0.0 43.3 0.0 0.0
93 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
94 4.4 54.4 1.2 416.7 54476.1 0.0 43.5 0.0 0.0
94 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
95 4.4 55.3 1.3 418.8 55185.7 0.0 43.2 0.0 0.0
95 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
96 4.5 53.3 1.3 420.7 53597.0 0.0 43.6 0.0 0.0
96 7.9 10.1 3.1 609.7 9740.9 0.0 63.2 0.0 0.0
97 4.2 56.6 1.2 253.8 55020.1 0.0 6.0 0.0 0.0
97 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
98 4.5 55.9 1.2 417.9 54721.3 0.0 10.0 0.0 0.0
98 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
99 4.5 56.8 1.2 419.9 54790.6 0.0 10.1 0.0 0.0
99 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
100 4.5 55.7 1.3 419.2 54922.0 0.0 10.1 0.0 0.0
100 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
101 4.5 56.1 1.3 417.5 54629.3 0.0 10.0 0.0 0.0
101 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
102 4.5 56.1 1.2 417.4 54571.3 0.0 10.0 0.0 0.0
102 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
103 4.5 56.8 1.2 418.7 55276.0 0.0 10.0 0.0 0.0
103 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
104 4.5 55.0 1.2 417.3 53512.3 0.0 10.0 0.0 0.0
104 7.9 10.3 3.1 609.5 9789.5 0.0 14.6 0.0 0.0
105 4.2 54.4 1.2 253.5 54574.8 0.0 33.9 0.0 0.0
105 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
106 4.5 53.8 1.2 418.1 54035.6 0.0 56.4 0.0 0.0
106 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
107 4.4 54.3 1.2 418.4 54272.0 0.0 56.4 0.0 0.0
107 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
108 4.5 53.2 1.3 418.4 54522.0 0.0 56.2 0.0 0.0
108 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
109 4.5 54.0 1.2 418.3 54088.5 0.0 56.3 0.0 0.0
109 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
110 4.5 53.9 1.2 418.0 53954.7 0.0 56.3 0.0 0.0
110 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
111 4.5 54.8 1.2 418.4 54648.4 0.0 56.4 0.0 0.0
111 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
112 4.5 52.9 1.3 418.5 52992.2 0.0 56.5 0.0 0.0
112 8.0 10.0 3.1 609.8 9722.1 0.0 82.0 0.0 0.0
113 3.9 58.2 1.2 255.0 55266.2 0.0 2.0 0.0 0.0
113 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
114 4.2 57.5 1.3 419.2 54779.6 0.0 3.4 0.0 0.0
114 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
115 4.2 58.2 1.3 417.8 54861.4 0.0 3.4 0.0 0.0
115 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
116 4.3 57.4 1.3 418.0 55152.3 0.0 3.4 0.0 0.0
116 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
117 4.2 57.7 1.3 417.9 54852.0 0.0 3.4 0.0 0.0
117 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
118 4.2 57.7 1.2 417.6 54667.9 0.0 3.4 0.0 0.0
118 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
119 4.2 58.6 1.3 419.0 55339.6 0.0 3.4 0.0 0.0
119 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
120 4.3 56.7 1.3 419.1 53729.7 0.0 3.4 0.0 0.0
120 7.9 10.6 3.1 609.2 9799.6 0.0 4.9 0.0 0.0
121 4.3 55.0 1.2 252.1 54882.7 0.0 22.8 0.0 0.0
121 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
122 4.5 54.8 1.3 420.0 54324.3 0.0 37.9 0.0 0.0
122 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
123 4.5 55.3 1.3 417.4 54478.8 0.0 38.0 0.0 0.0
123 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
124 4.5 54.6 1.2 419.2 54665.8 0.0 38.0 0.0 0.0
124 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
125 4.5 54.9 1.3 418.6 54345.9 0.0 37.9 0.0 0.0
125 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
126 4.5 54.9 1.2 417.5 54220.3 0.0 38.1 0.0 0.0
126 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
127 4.5 55.8 1.3 418.2 55075.7 0.0 38.1 0.0 0.0
127 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
128 4.5 53.8 1.2 418.5 53404.1 0.0 38.0 0.0 0.0
128 7.9 10.2 3.1 609.7 9748.7 0.0 55.4 0.0 0.0
129 4.2 56.2 1.2 252.6 54831.9 0.0 35.5 0.0 0.0
129 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
130 4.4 55.6 1.2 416.1 54389.6 0.0 59.7 0.0 0.0
130 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
131 4.4 56.3 1.2 416.2 54602.8 0.0 59.2 0.0 0.0
131 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
132 4.4 55.3 1.2 416.7 54815.0 0.0 59.6 0.0 0.0
132 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
133 4.5 55.7 1.2 417.4 54442.6 0.0 59.2 0.0 0.0
133 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
134 4.5 55.7 1.2 419.4 54268.5 0.0 59.4 0.0 0.0
134 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
135 4.4 56.5 1.2 418.3 55010.1 0.0 59.5 0.0 0.0
135 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
136 4.4 54.1 1.2 417.8 53374.2 0.0 59.2 0.0 0.0
136 7.9 10.3 3.1 609.5 9718.0 0.0 86.5 0.0 0.0
137 4.2 110.9 1.2 246.1 55154.2 0.0 13.6 0.0 0.0
137 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
138 4.5 109.5 1.2 411.3 54725.1 0.0 22.6 0.0 0.0
138 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
139 4.5 110.5 1.2 410.8 54817.4 0.0 22.4 0.0 0.0
139 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
140 4.5 109.2 1.2 408.1 55118.8 0.0 22.6 0.0 0.0
140 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
141 4.5 109.5 1.2 410.1 54708.4 0.0 22.6 0.0 0.0
141 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
142 4.4 109.7 1.2 409.6 54622.6 0.0 22.7 0.0 0.0
142 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
143 4.4 111.7 1.2 409.2 55329.4 0.0 22.6 0.0 0.0
143 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
144 4.4 107.7 1.2 406.0 53705.2 0.0 22.5 0.0 0.0
144 7.9 22.6 3.1 597.2 9771.7 0.0 32.9 0.0 0.0
145 4.2 54.3 1.2 254.2 54812.9 0.0 30.1 0.0 0.0
145 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
146 4.5 53.9 1.2 419.7 54266.8 0.0 49.9 0.0 0.0
146 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
147 4.5 54.5 1.2 417.1 54531.1 0.0 49.5 0.0 0.0
147 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
148 4.5 53.6 1.2 421.0 54839.2 0.0 49.9 0.0 0.0
148 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
149 4.5 54.0 1.3 418.0 54247.3 0.0 49.9 0.0 0.0
149 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
150 4.5 53.9 1.2 417.9 54125.3 0.0 49.9 0.0 0.0
150 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
151 4.5 54.8 1.2 420.2 54916.4 0.0 49.8 0.0 0.0
151 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
152 4.5 52.8 1.2 418.2 53253.6 0.0 49.9 0.0 0.0
152 7.9 9.9 3.1 609.9 9731.5 0.0 72.6 0.0 0.0
153 4.3 53.9 1.2 256.5 54621.1 0.0 34.8 0.0 0.0
153 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
154 4.5 53.3 1.3 418.6 54402.9 0.0 57.8 0.0 0.0
154 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
155 4.5 54.0 1.2 420.2 54289.6 0.0 57.8 0.0 0.0
155 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
156 4.5 53.2 1.2 418.1 54590.7 0.0 57.8 0.0 0.0
156 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
157 4.5 53.4 1.3 420.3 54076.0 0.0 57.7 0.0 0.0
157 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
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158 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
159 4.5 54.4 1.2 419.4 54887.7 0.0 57.7 0.0 0.0
159 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
160 4.5 52.5 1.3 419.7 53017.7 0.0 57.8 0.0 0.0
160 7.9 9.9 3.1 609.9 9720.0 0.0 84.1 0.0 0.0
161 4.2 54.2 1.2 251.0 54920.2 0.0 21.3 0.0 0.0
161 7.9 9.9 3.1 609.9 9753.3 0.0 51.2 0.0 0.0
162 4.4 53.5 1.2 420.5 54476.1 0.0 35.2 0.0 0.0
162 7.9 9.9 3.1 609.9 9753.3 0.0 51.2 0.0 0.0
163 4.5 54.1 1.2 418.7 54587.2 0.0 35.2 0.0 0.0
163 7.9 9.9 3.1 609.9 9753.3 0.0 51.2 0.0 0.0
164 4.4 53.0 1.2 417.7 54740.5 0.0 35.2 0.0 0.0
164 7.9 9.9 3.1 609.9 9753.3 0.0 51.2 0.0 0.0
165 4.4 53.6 1.2 420.3 54472.1 0.0 35.3 0.0 0.0
165 7.9 9.9 3.1 609.9 9753.3 0.0 51.2 0.0 0.0
166 4.4 53.3 1.2 419.8 54300.5 0.0 35.0 0.0 0.0
166 7.9 9.9 3.1 609.9 9753.3 0.0 51.2 0.0 0.0
167 4.5 54.5 1.2 418.6 55158.2 0.0 35.1 0.0 0.0
167 7.9 9.9 3.1 609.9 9753.3 0.0 51.2 0.0 0.0
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170 7.9 22.3 3.1 597.6 9728.9 0.0 75.3 0.0 0.0
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207 7.9 9.9 3.1 609.9 9716.7 0.0 87.5 0.0 0.0
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209 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
210 4.5 107.2 1.3 412.2 54149.4 0.0 48.4 0.0 0.0
210 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
211 4.5 108.8 1.2 411.1 54407.6 0.0 48.4 0.0 0.0
211 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
212 4.5 107.1 1.3 411.5 54622.1 0.0 48.3 0.0 0.0
212 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
213 4.5 107.7 1.2 412.1 54333.4 0.0 48.5 0.0 0.0
213 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
214 4.5 107.5 1.3 411.4 54324.5 0.0 48.4 0.0 0.0
214 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
215 4.5 109.4 1.3 412.3 54978.3 0.0 48.4 0.0 0.0
215 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
216 4.5 105.3 1.3 410.4 53214.3 0.0 48.5 0.0 0.0
216 7.9 22.1 3.1 597.7 9734.2 0.0 70.2 0.0 0.0
217 4.2 106.9 1.2 248.2 54681.0 0.0 36.1 0.0 0.0
217 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
218 4.5 105.3 1.2 410.9 54271.5 0.0 60.0 0.0 0.0
218 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
219 4.4 107.0 1.2 410.5 54331.7 0.0 59.9 0.0 0.0
219 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
220 4.4 105.2 1.2 408.7 54743.5 0.0 60.1 0.0 0.0
220 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
221 4.5 105.7 1.2 410.1 54280.8 0.0 59.9 0.0 0.0
221 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
222 4.5 105.8 1.3 408.3 54067.9 0.0 59.8 0.0 0.0
222 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
223 4.5 107.6 1.3 411.6 54840.9 0.0 59.9 0.0 0.0
223 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
224 4.5 103.6 1.3 410.3 53158.1 0.0 59.7 0.0 0.0
224 7.9 21.8 3.1 598.0 9716.6 0.0 87.4 0.0 0.0
225 4.2 54.6 1.2 251.5 55180.6 0.0 3.4 0.0 0.0
225 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
226 4.5 53.9 1.2 417.7 54741.7 0.0 5.6 0.0 0.0
226 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
227 4.5 54.6 1.2 418.4 54884.6 0.0 5.7 0.0 0.0
227 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
228 4.5 53.7 1.3 417.4 55201.6 0.0 5.7 0.0 0.0
228 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
229 4.5 54.1 1.2 419.0 54767.1 0.0 5.7 0.0 0.0
229 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
230 4.5 54.2 1.2 418.3 54689.0 0.0 5.7 0.0 0.0
230 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
231 4.5 55.1 1.3 419.6 55361.5 0.0 5.7 0.0 0.0
231 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
232 4.5 53.1 1.2 418.0 53723.8 0.0 5.7 0.0 0.0
232 7.9 10.0 3.1 609.9 9795.8 0.0 8.3 0.0 0.0
233 4.2 54.8 1.2 252.1 54895.0 0.0 27.7 0.0 0.0
233 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
234 4.4 53.9 1.2 417.0 54491.1 0.0 45.8 0.0 0.0
234 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
235 4.4 55.0 1.2 418.4 54375.0 0.0 46.2 0.0 0.0
235 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
236 4.4 54.1 1.3 419.4 54763.8 0.0 45.9 0.0 0.0
236 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
237 4.4 54.4 1.2 417.1 54304.8 0.0 46.1 0.0 0.0
237 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
238 4.4 54.4 1.2 419.8 54282.5 0.0 45.9 0.0 0.0
238 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
239 4.5 55.3 1.3 419.4 55003.2 0.0 45.8 0.0 0.0
239 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
240 4.4 53.3 1.3 418.8 53395.8 0.0 46.0 0.0 0.0
240 7.9 10.0 3.1 609.9 9737.1 0.0 67.0 0.0 0.0
241 4.3 54.5 1.2 253.7 54641.4 0.0 36.2 0.0 0.0
241 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
242 4.5 53.9 1.3 419.5 54403.8 0.0 60.5 0.0 0.0
242 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
243 4.4 54.7 1.2 413.7 54478.9 0.0 59.4 0.0 0.0
243 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
244 4.5 53.9 1.2 419.0 54717.8 0.0 60.4 0.0 0.0
244 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
245 4.5 54.1 1.2 417.4 54104.4 0.0 60.0 0.0 0.0
245 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
246 4.5 54.0 1.2 419.0 54035.3 0.0 60.0 0.0 0.0
246 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
247 4.5 55.1 1.3 419.3 54831.2 0.0 60.3 0.0 0.0
247 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
248 4.5 53.1 1.3 416.0 53161.1 0.0 59.4 0.0 0.0
248 7.9 10.0 3.1 609.8 9716.7 0.0 87.4 0.0 0.0
249 4.2 55.5 1.2 250.0 54667.0 0.0 35.7 0.0 0.0
249 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
250 4.5 54.9 1.2 416.4 54419.2 0.0 59.4 0.0 0.0
250 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
251 4.5 55.5 1.2 414.7 54353.1 0.0 59.7 0.0 0.0
251 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
252 4.5 54.8 1.2 418.4 54558.0 0.0 60.0 0.0 0.0
252 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
253 4.5 55.0 1.2 413.7 54197.0 0.0 59.9 0.0 0.0
253 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
254 4.4 55.1 1.2 393.4 54176.6 0.0 58.4 0.0 0.0
254 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
255 4.5 56.0 1.2 412.7 54873.3 0.0 59.7 0.0 0.0
255 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
256 4.4 54.1 1.2 415.4 53424.0 0.0 59.4 0.0 0.0
256 7.9 10.1 3.1 609.7 9716.7 0.0 87.5 0.0 0.0
257 4.2 55.1 1.2 252.9 54659.8 0.0 36.2 0.0 0.0
257 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
258 4.4 54.4 1.2 418.2 54245.7 0.0 60.2 0.0 0.0
258 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
259 4.4 55.1 1.3 418.3 54394.3 0.0 60.2 0.0 0.0
259 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
260 4.4 54.3 1.2 419.7 54630.9 0.0 59.8 0.0 0.0
260 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
261 4.4 54.5 1.3 420.2 54212.8 0.0 60.3 0.0 0.0
261 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
262 4.4 54.6 1.2 417.2 54105.0 0.0 60.5 0.0 0.0
262 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
263 4.5 55.6 1.3 420.4 54821.1 0.0 60.4 0.0 0.0
263 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
264 4.4 53.6 1.3 419.2 53121.6 0.0 60.4 0.0 0.0
264 7.9 10.1 3.1 609.7 9717.0 0.0 87.5 0.0 0.0
265 4.2 2020.0 1.2 114.9 55132.4 0.0 28.8 0.0 0.0
265 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
266 4.4 2017.4 1.2 187.7 54559.0 0.0 48.1 0.0 0.0
266 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
267 4.4 2019.5 1.2 189.7 54696.8 0.0 47.9 0.0 0.0
267 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
268 4.4 2017.3 1.3 188.8 55204.2 0.0 48.3 0.0 0.0
268 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
269 4.4 2018.1 1.2 188.8 54662.4 0.0 48.1 0.0 0.0
269 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
270 4.4 2017.9 1.2 190.1 54478.0 0.0 47.9 0.0 0.0
270 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
271 4.4 2021.2 1.2 188.8 55211.8 0.0 48.1 0.0 0.0
271 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
272 4.4 2015.1 1.2 187.8 53576.5 0.0 48.1 0.0 0.0
272 7.9 342.3 3.1 277.6 9734.0 0.0 70.5 0.0 0.0
273 4.3 55.5 1.2 253.2 54875.4 0.0 36.4 0.0 0.0
273 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
274 4.5 55.0 1.3 419.9 54208.3 0.0 60.0 0.0 0.0
274 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
275 4.5 55.5 1.2 418.7 54473.1 0.0 60.0 0.0 0.0
275 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
276 4.4 54.3 1.2 418.3 54581.6 0.0 59.9 0.0 0.0
276 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
277 4.4 55.1 1.2 416.0 54248.3 0.0 59.8 0.0 0.0
277 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
278 4.4 54.9 1.2 419.0 54132.4 0.0 60.3 0.0 0.0
278 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
279 4.5 55.7 1.3 419.4 54975.2 0.0 60.2 0.0 0.0
279 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
280 4.4 53.8 1.3 419.4 53227.0 0.0 60.2 0.0 0.0
280 7.9 10.1 3.1 609.7 9716.6 0.0 87.5 0.0 0.0
281 4.3 54.6 1.2 253.4 55253.7 0.0 2.0 0.0 0.0
281 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
282 4.5 53.8 1.2 416.8 54698.8 0.0 3.2 0.0 0.0
282 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
283 4.5 54.5 1.2 420.4 54966.9 0.0 3.2 0.0 0.0
283 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
284 4.5 53.7 1.2 417.4 55098.2 0.0 3.2 0.0 0.0
284 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
285 4.5 54.1 1.2 417.7 54755.2 0.0 3.2 0.0 0.0
285 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
286 4.5 54.0 1.3 416.5 54838.1 0.0 3.2 0.0 0.0
286 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
287 4.5 54.9 1.3 416.5 55327.9 0.0 3.2 0.0 0.0
287 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
288 4.5 53.1 1.2 419.1 53697.0 0.0 3.2 0.0 0.0
288 7.9 10.0 3.1 609.9 9799.4 0.0 4.7 0.0 0.0
289 4.3 55.4 1.2 252.6 54764.6 0.0 30.0 0.0 0.0
289 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
290 4.5 54.6 1.2 418.3 54271.8 0.0 49.3 0.0 0.0
290 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
291 4.5 55.1 1.2 419.8 54374.2 0.0 49.9 0.0 0.0
291 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
292 4.5 54.4 1.2 417.6 54669.9 0.0 49.7 0.0 0.0
292 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
293 4.5 54.8 1.2 418.2 54225.7 0.0 49.9 0.0 0.0
293 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
294 4.5 54.7 1.2 418.4 54097.1 0.0 50.0 0.0 0.0
294 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
295 4.5 55.7 1.3 417.9 55027.4 0.0 49.6 0.0 0.0
295 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
296 4.5 53.8 1.3 418.1 53469.5 0.0 49.9 0.0 0.0
296 7.9 10.0 3.1 609.8 9731.5 0.0 72.6 0.0 0.0
297 4.5 111.8 1.2 248.4 55252.5 0.0 2.0 0.0 0.0
297 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
298 4.6 110.3 1.3 409.4 54881.9 0.0 3.4 0.0 0.0
298 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
299 4.6 112.1 1.2 409.2 54943.6 0.0 3.3 0.0 0.0
299 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
300 4.6 110.8 1.3 409.9 55178.4 0.0 3.3 0.0 0.0
300 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
301 4.6 110.8 1.3 409.1 54756.4 0.0 3.3 0.0 0.0
301 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
302 4.6 111.0 1.3 408.1 54581.0 0.0 3.3 0.0 0.0
302 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
303 4.6 113.2 1.2 407.6 55396.4 0.0 3.4 0.0 0.0
303 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
304 4.6 108.9 1.3 407.0 53571.7 0.0 3.3 0.0 0.0
304 7.9 22.8 3.1 597.1 9799.2 0.0 4.9 0.0 0.0
305 4.2 55.7 1.2 253.1 54920.0 0.0 28.7 0.0 0.0
305 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
306 4.5 55.1 1.3 419.6 54508.5 0.0 47.2 0.0 0.0
306 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
307 4.5 55.9 1.3 419.2 54661.6 0.0 47.3 0.0 0.0
307 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
308 4.5 55.0 1.2 417.6 54785.8 0.0 47.0 0.0 0.0
308 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
309 4.4 55.3 1.2 417.5 54699.8 0.0 47.2 0.0 0.0
309 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
310 4.5 55.3 1.2 418.3 54472.2 0.0 47.1 0.0 0.0
310 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
311 4.5 56.2 1.3 419.4 55116.2 0.0 47.4 0.0 0.0
311 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
312 4.5 53.8 1.3 417.1 53595.0 0.0 47.3 0.0 0.0
312 7.9 10.2 3.1 609.6 9735.2 0.0 68.9 0.0 0.0
313 4.3 54.3 1.2 258.1 55440.3 0.0 5.5 0.0 0.0
313 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
314 4.4 54.0 1.2 416.0 54741.9 0.0 9.2 0.0 0.0
314 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
315 4.5 54.6 1.3 416.2 54851.2 0.0 9.2 0.0 0.0
315 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
316 4.4 53.8 1.2 413.8 55157.2 0.0 9.0 0.0 0.0
316 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
317 4.5 54.1 1.2 418.8 54690.2 0.0 9.2 0.0 0.0
317 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
318 4.4 54.0 1.2 415.6 54500.4 0.0 9.2 0.0 0.0
318 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
319 4.5 55.0 1.3 418.6 55292.5 0.0 9.1 0.0 0.0
319 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
320 4.5 53.0 1.3 417.4 53833.1 0.0 9.2 0.0 0.0
320 7.9 10.3 3.1 609.5 9790.7 0.0 13.4 0.0 0.0
321 4.3 54.8 1.2 251.4 54806.8 0.0 17.3 0.0 0.0
321 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
322 4.5 54.2 1.2 419.1 54382.6 0.0 28.4 0.0 0.0
322 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
323 4.5 55.0 1.3 419.3 54423.6 0.0 28.7 0.0 0.0
323 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
324 4.5 54.1 1.2 418.3 54920.7 0.0 28.8 0.0 0.0
324 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
325 4.5 54.4 1.2 413.6 54376.8 0.0 28.4 0.0 0.0
325 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
326 4.5 54.3 1.3 419.6 54297.4 0.0 28.7 0.0 0.0
326 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
327 4.5 55.2 1.2 419.2 55094.8 0.0 28.7 0.0 0.0
327 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
328 4.5 53.3 1.3 419.1 53648.6 0.0 28.7 0.0 0.0
328 7.9 10.0 3.1 609.9 9762.3 0.0 41.8 0.0 0.0
329 4.2 53.8 1.2 251.7 54902.8 0.0 25.2 0.0 0.0
329 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
330 4.5 53.1 1.3 420.7 54414.8 0.0 41.4 0.0 0.0
330 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
331 4.4 53.8 1.2 417.2 54644.0 0.0 41.4 0.0 0.0
331 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
332 4.5 53.0 1.2 417.2 54810.4 0.0 41.6 0.0 0.0
332 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
333 4.5 53.2 1.2 418.7 54301.2 0.0 41.6 0.0 0.0
333 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
334 4.5 53.2 1.2 416.8 54295.7 0.0 41.4 0.0 0.0
334 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
335 4.5 54.2 1.2 417.6 55021.1 0.0 41.4 0.0 0.0
335 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
336 4.5 52.2 1.3 415.8 53419.9 0.0 41.2 0.0 0.0
336 7.9 9.9 3.1 609.9 9743.7 0.0 60.4 0.0 0.0
337 4.3 109.3 1.2 249.0 54865.0 0.0 28.9 0.0 0.0
337 7.9 22.3 3.1 597.5 9733.2 0.0 70.8 0.0 0.0
338 4.5 107.8 1.2 408.5 54258.7 0.0 48.6 0.0 0.0
338 7.9 22.3 3.1 597.5 9733.2 0.0 70.8 0.0 0.0
339 4.5 109.0 1.2 409.4 54428.2 0.0 48.4 0.0 0.0
339 7.9 22.3 3.1 597.5 9733.2 0.0 70.8 0.0 0.0
340 4.5 107.4 1.2 407.2 54822.8 0.0 48.5 0.0 0.0
340 7.9 22.3 3.1 597.5 9733.2 0.0 70.8 0.0 0.0
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341 7.9 22.3 3.1 597.5 9733.2 0.0 70.8 0.0 0.0
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344 7.9 22.3 3.1 597.5 9733.2 0.0 70.8 0.0 0.0
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346 7.9 9.9 3.1 610.0 9720.8 0.0 83.7 0.0 0.0
347 4.5 54.0 1.3 419.7 54422.2 0.0 57.5 0.0 0.0
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348 4.5 53.0 1.2 420.5 54453.0 0.0 57.6 0.0 0.0
348 7.9 9.9 3.1 610.0 9720.8 0.0 83.7 0.0 0.0
349 4.5 53.3 1.3 420.2 54282.0 0.0 57.4 0.0 0.0
349 7.9 9.9 3.1 610.0 9720.8 0.0 83.7 0.0 0.0
350 4.5 53.3 1.2 419.5 53980.7 0.0 57.6 0.0 0.0
350 7.9 9.9 3.1 610.0 9720.8 0.0 83.7 0.0 0.0
351 4.5 54.2 1.2 420.2 54940.5 0.0 57.6 0.0 0.0
351 7.9 9.9 3.1 610.0 9720.8 0.0 83.7 0.0 0.0
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352 7.9 9.9 3.1 610.0 9720.8 0.0 83.7 0.0 0.0
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353 7.9 10.3 3.1 609.5 9797.2 0.0 6.8 0.0 0.0
354 4.5 55.7 1.2 418.3 54911.7 0.0 4.7 0.0 0.0
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355 4.4 56.2 1.2 417.8 55007.5 0.0 4.7 0.0 0.0
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361 4.2 55.4 1.2 252.6 54667.6 0.0 36.3 0.0 0.0
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362 4.5 54.8 1.2 419.7 54141.2 0.0 60.2 0.0 0.0
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374 7.9 22.4 3.1 597.4 9761.4 0.0 42.6 0.0 0.0
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375 7.9 22.4 3.1 597.4 9761.4 0.0 42.6 0.0 0.0
376 4.5 107.2 1.3 409.6 53348.8 0.0 29.1 0.0 0.0
376 7.9 22.4 3.1 597.4 9761.4 0.0 42.6 0.0 0.0
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380 7.9 10.1 3.1 609.7 9784.5 0.0 19.6 0.0 0.0
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397 7.9 21.8 3.1 598.0 9758.9 0.0 45.2 0.0 0.0
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526 4.4 1846.9 1.2 210.1 54623.6 0.0 21.2 0.0 0.0
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527 4.4 1847.1 1.3 211.1 55438.2 0.0 21.2 0.0 0.0
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528 4.4 1845.9 1.2 209.5 53799.7 0.0 20.9 0.0 0.0
528 7.9 313.5 3.1 306.4 9773.6 0.0 31.0 0.0 0.0
529 4.2 115.0 1.2 247.2 55047.3 0.0 13.4 0.0 0.0
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530 4.4 113.2 1.2 408.1 54627.4 0.0 22.1 0.0 0.0
530 7.9 23.2 3.1 596.6 9772.2 0.0 32.2 0.0 0.0
531 4.4 115.1 1.2 408.0 54628.7 0.0 22.1 0.0 0.0
531 7.9 23.2 3.1 596.6 9772.2 0.0 32.2 0.0 0.0
532 4.4 113.4 1.2 410.9 54920.0 0.0 21.9 0.0 0.0
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533 4.4 114.2 1.2 411.9 54656.4 0.0 22.0 0.0 0.0
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534 4.4 114.0 1.2 409.6 54110.6 0.0 22.0 0.0 0.0
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535 4.5 115.9 1.3 408.3 55221.6 0.0 22.1 0.0 0.0
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536 4.5 112.0 1.3 407.7 53412.9 0.0 22.1 0.0 0.0
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537 4.2 109.4 1.2 248.4 55117.2 0.0 25.9 0.0 0.0
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538 4.4 108.1 1.2 410.6 54588.0 0.0 43.3 0.0 0.0
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539 4.4 109.3 1.2 409.4 54879.1 0.0 43.5 0.0 0.0
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540 4.4 107.3 1.2 411.7 55034.8 0.0 43.3 0.0 0.0
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553 4.2 120.6 1.2 249.9 55423.1 0.0 8.7 0.0 0.0
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729 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
730 4.5 55.1 1.2 417.2 54378.5 0.0 49.8 0.0 0.0
730 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
731 4.4 55.6 1.2 418.2 54639.4 0.0 50.2 0.0 0.0
731 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
732 4.5 54.7 1.3 420.4 54751.5 0.0 49.9 0.0 0.0
732 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
733 4.5 55.1 1.2 419.1 54525.6 0.0 49.8 0.0 0.0
733 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
734 4.5 55.1 1.2 417.4 54350.6 0.0 49.9 0.0 0.0
734 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
735 4.5 56.0 1.2 419.4 55048.7 0.0 49.9 0.0 0.0
735 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
736 4.5 54.0 1.3 417.9 53340.6 0.0 50.0 0.0 0.0
736 7.9 10.2 3.1 609.6 9731.9 0.0 72.5 0.0 0.0
737 4.2 56.0 1.2 251.6 55089.6 0.0 31.2 0.0 0.0
737 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
738 4.4 55.4 1.3 416.1 54727.3 0.0 52.0 0.0 0.0
738 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
739 4.5 56.1 1.3 418.2 54962.0 0.0 52.0 0.0 0.0
739 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
740 4.4 55.4 1.2 418.0 55146.4 0.0 51.9 0.0 0.0
740 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
741 4.5 55.6 1.3 418.1 54474.6 0.0 51.9 0.0 0.0
741 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
742 4.4 55.6 1.2 419.0 54446.3 0.0 52.3 0.0 0.0
742 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
743 4.5 56.4 1.3 418.9 55087.9 0.0 52.1 0.0 0.0
743 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
744 4.4 54.5 1.3 418.0 53624.5 0.0 51.9 0.0 0.0
744 7.9 10.3 3.1 609.6 9728.9 0.0 75.7 0.0 0.0
745 4.2 108.9 1.2 248.3 55205.7 0.0 7.8 0.0 0.0
745 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
746 4.5 107.5 1.2 407.1 54676.2 0.0 12.9 0.0 0.0
746 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
747 4.5 109.0 1.2 409.3 54793.6 0.0 12.9 0.0 0.0
747 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
748 4.4 107.3 1.3 409.6 55167.7 0.0 13.0 0.0 0.0
748 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
749 4.5 107.8 1.2 408.1 54784.8 0.0 13.0 0.0 0.0
749 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
750 4.5 107.5 1.2 404.5 54540.3 0.0 13.0 0.0 0.0
750 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
751 4.5 109.6 1.3 408.7 55230.4 0.0 13.0 0.0 0.0
751 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
752 4.4 105.9 1.3 407.9 53721.4 0.0 13.0 0.0 0.0
752 7.9 22.3 3.1 597.6 9785.6 0.0 19.0 0.0 0.0
753 4.2 55.7 1.2 252.8 55108.9 0.0 21.7 0.0 0.0
753 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
754 4.4 55.1 1.2 417.5 54299.0 0.0 35.9 0.0 0.0
754 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
755 4.4 55.6 1.2 416.6 54527.7 0.0 35.7 0.0 0.0
755 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
756 4.5 54.9 1.2 417.6 54903.4 0.0 36.1 0.0 0.0
756 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
757 4.5 55.2 1.2 418.9 54513.2 0.0 35.9 0.0 0.0
757 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
758 4.4 55.2 1.2 416.9 54382.1 0.0 35.9 0.0 0.0
758 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
759 4.4 56.2 1.3 417.4 55112.4 0.0 35.8 0.0 0.0
759 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
760 4.4 54.0 1.2 415.2 53457.0 0.0 36.0 0.0 0.0
760 7.9 10.2 3.1 609.7 9751.9 0.0 52.3 0.0 0.0
761 4.3 54.7 1.2 249.5 55227.6 0.0 9.7 0.0 0.0
761 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
762 4.5 53.9 1.2 420.4 54540.0 0.0 16.0 0.0 0.0
762 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
763 4.4 54.6 1.2 420.3 54753.3 0.0 15.8 0.0 0.0
763 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
764 4.4 53.7 1.2 400.2 54972.1 0.0 16.1 0.0 0.0
764 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
765 4.5 54.1 1.2 420.4 54552.0 0.0 16.1 0.0 0.0
765 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
766 4.5 54.0 1.3 418.9 54474.2 0.0 16.0 0.0 0.0
766 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
767 4.5 55.0 1.2 420.0 55117.4 0.0 16.1 0.0 0.0
767 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
768 4.5 53.1 1.3 414.8 53402.8 0.0 16.0 0.0 0.0
768 7.9 10.0 3.1 609.8 9780.7 0.0 23.4 0.0 0.0
769 4.2 56.8 1.2 252.3 55164.1 0.0 3.4 0.0 0.0
769 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
770 4.4 56.0 1.2 419.0 54944.2 0.0 5.7 0.0 0.0
770 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
771 4.4 56.7 1.2 417.6 54940.1 0.0 5.7 0.0 0.0
771 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
772 4.4 55.9 1.2 418.6 55065.7 0.0 5.7 0.0 0.0
772 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
773 4.4 56.2 1.2 418.6 54660.2 0.0 5.7 0.0 0.0
773 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
774 4.4 56.1 1.2 417.0 54556.2 0.0 5.7 0.0 0.0
774 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
775 4.4 57.2 1.2 418.4 55308.0 0.0 5.7 0.0 0.0
775 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
776 4.4 54.8 1.2 420.6 53666.3 0.0 5.7 0.0 0.0
776 7.8 10.3 3.1 609.5 9796.1 0.0 8.3 0.0 0.0
777 4.2 108.0 1.2 250.8 54805.8 0.0 22.2 0.0 0.0
777 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
778 4.5 106.7 1.2 410.5 54491.0 0.0 36.7 0.0 0.0
778 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
779 4.4 108.2 1.2 411.7 54694.3 0.0 36.7 0.0 0.0
779 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
780 4.5 106.6 1.2 407.6 54855.0 0.0 36.4 0.0 0.0
780 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
781 4.5 106.7 1.2 409.4 54294.4 0.0 36.7 0.0 0.0
781 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
782 4.5 107.2 1.3 409.7 54438.6 0.0 36.6 0.0 0.0
782 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
783 4.5 109.0 1.3 411.3 54951.8 0.0 36.8 0.0 0.0
783 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
784 4.5 105.2 1.3 411.0 53314.5 0.0 36.7 0.0 0.0
784 7.9 22.1 3.1 597.7 9751.0 0.0 53.5 0.0 0.0
785 4.2 55.8 1.2 248.0 55304.2 0.0 0.8 0.0 0.0
785 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
786 4.4 55.2 1.2 415.7 54645.3 0.0 1.4 0.0 0.0
786 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
787 4.4 55.8 1.2 416.3 54973.1 0.0 1.4 0.0 0.0
787 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
788 4.4 55.1 1.2 415.0 55187.6 0.0 1.4 0.0 0.0
788 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
789 4.4 55.5 1.2 412.4 54900.8 0.0 1.4 0.0 0.0
789 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
790 4.4 55.4 1.2 415.2 54609.8 0.0 1.4 0.0 0.0
790 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
791 4.4 56.4 1.2 414.1 55446.4 0.0 1.4 0.0 0.0
791 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
792 4.4 54.3 1.2 413.6 53591.0 0.0 1.4 0.0 0.0
792 7.9 10.3 3.1 609.6 9802.1 0.0 2.1 0.0 0.0
793 4.2 106.5 1.2 248.9 54867.2 0.0 28.8 0.0 0.0
793 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
794 4.4 105.2 1.3 412.5 54258.6 0.0 47.9 0.0 0.0
794 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
795 4.4 106.5 1.2 412.3 54451.2 0.0 48.0 0.0 0.0
795 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
796 4.5 104.9 1.2 410.7 54830.4 0.0 47.6 0.0 0.0
796 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
797 4.5 105.6 1.2 409.8 54424.7 0.0 47.9 0.0 0.0
797 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
798 4.5 105.4 1.2 410.4 54168.6 0.0 47.6 0.0 0.0
798 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
799 4.4 107.2 1.2 409.7 54900.6 0.0 47.9 0.0 0.0
799 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
800 4.4 103.4 1.3 408.9 53298.9 0.0 48.1 0.0 0.0
800 7.9 21.8 3.1 598.0 9734.4 0.0 69.6 0.0 0.0
801 4.2 54.3 1.2 253.4 54973.1 0.0 6.8 0.0 0.0
801 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
802 4.5 53.6 1.2 418.7 54487.2 0.0 11.4 0.0 0.0
802 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
803 4.5 54.2 1.2 420.7 54693.8 0.0 11.3 0.0 0.0
803 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
804 4.4 53.5 1.3 416.0 54901.0 0.0 11.4 0.0 0.0
804 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
805 4.4 53.8 1.2 417.8 54678.5 0.0 11.4 0.0 0.0
805 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
806 4.5 53.6 1.2 419.3 54487.5 0.0 11.4 0.0 0.0
806 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
807 4.5 54.6 1.3 420.0 55245.4 0.0 11.3 0.0 0.0
807 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
808 4.5 52.6 1.3 417.3 53518.6 0.0 11.4 0.0 0.0
808 7.9 10.0 3.1 609.9 9787.6 0.0 16.6 0.0 0.0
809 4.2 54.7 1.2 252.5 54847.6 0.0 29.5 0.0 0.0
809 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
810 4.5 53.7 1.3 417.2 54258.1 0.0 49.1 0.0 0.0
810 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
811 4.4 54.9 1.2 417.9 54338.8 0.0 48.7 0.0 0.0
811 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
812 4.4 53.8 1.2 419.1 54656.2 0.0 48.6 0.0 0.0
812 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
813 4.4 54.4 1.2 419.3 54236.2 0.0 48.9 0.0 0.0
813 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
814 4.4 54.3 1.2 418.0 54441.6 0.0 49.0 0.0 0.0
814 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
815 4.5 55.2 1.3 419.8 54875.6 0.0 48.5 0.0 0.0
815 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
816 4.4 53.1 1.2 415.6 53272.8 0.0 49.0 0.0 0.0
816 7.9 10.1 3.1 609.7 9732.8 0.0 71.3 0.0 0.0
817 4.3 57.0 1.2 252.6 55275.8 0.0 2.1 0.0 0.0
817 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
818 4.5 56.4 1.2 418.7 54895.6 0.0 3.5 0.0 0.0
818 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
819 4.5 57.2 1.2 418.3 54933.7 0.0 3.5 0.0 0.0
819 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
820 4.5 56.3 1.2 418.2 55265.6 0.0 3.5 0.0 0.0
820 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
821 4.5 56.6 1.2 417.3 54891.7 0.0 3.5 0.0 0.0
821 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
822 4.5 56.6 1.3 417.3 54773.2 0.0 3.5 0.0 0.0
822 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
823 4.5 57.4 1.3 417.3 55370.7 0.0 3.5 0.0 0.0
823 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
824 4.5 55.6 1.3 417.3 53765.3 0.0 3.5 0.0 0.0
824 8.0 10.5 3.1 609.4 9799.0 0.0 5.1 0.0 0.0
825 4.2 53.8 1.2 249.9 55186.7 0.0 4.3 0.0 0.0
825 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
826 4.4 53.2 1.2 414.9 54906.4 0.0 7.3 0.0 0.0
826 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
827 4.4 53.8 1.2 416.8 54743.0 0.0 7.3 0.0 0.0
827 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
828 4.4 53.1 1.2 418.5 55163.3 0.0 7.3 0.0 0.0
828 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
829 4.4 53.4 1.2 417.1 54595.7 0.0 7.3 0.0 0.0
829 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
830 4.4 53.4 1.3 419.1 54548.3 0.0 7.3 0.0 0.0
830 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
831 4.4 54.3 1.2 418.7 55384.9 0.0 7.3 0.0 0.0
831 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
832 4.5 52.3 1.3 418.2 53597.2 0.0 7.3 0.0 0.0
832 7.9 9.8 3.1 610.0 9793.5 0.0 10.6 0.0 0.0
833 4.3 106.7 1.2 252.1 55002.7 0.0 16.3 0.0 0.0
833 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
834 4.5 105.4 1.3 411.4 54534.7 0.0 26.4 0.0 0.0
834 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
835 4.5 106.8 1.3 409.8 54731.5 0.0 26.5 0.0 0.0
835 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
836 4.5 105.4 1.3 411.3 55142.6 0.0 26.6 0.0 0.0
836 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
837 4.5 105.6 1.3 412.3 54462.0 0.0 26.5 0.0 0.0
837 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
838 4.5 105.3 1.3 411.8 54537.0 0.0 26.5 0.0 0.0
838 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
839 4.5 107.7 1.3 412.2 55129.4 0.0 26.5 0.0 0.0
839 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
840 4.5 103.8 1.3 410.5 53586.0 0.0 26.6 0.0 0.0
840 7.9 21.9 3.1 597.9 9765.6 0.0 38.6 0.0 0.0
841 4.3 56.6 1.2 252.7 54683.8 0.0 36.5 0.0 0.0
841 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
842 4.5 55.8 1.2 419.2 54208.1 0.0 60.0 0.0 0.0
842 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
843 4.5 56.6 1.2 420.9 54385.1 0.0 60.2 0.0 0.0
843 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
844 4.5 55.7 1.2 419.4 54704.4 0.0 59.9 0.0 0.0
844 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
845 4.5 56.0 1.2 419.6 54106.0 0.0 59.9 0.0 0.0
845 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
846 4.5 56.1 1.3 421.9 54066.5 0.0 60.0 0.0 0.0
846 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
847 4.5 57.0 1.2 415.3 54948.1 0.0 59.5 0.0 0.0
847 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
848 4.5 54.8 1.3 419.5 53101.5 0.0 60.3 0.0 0.0
848 7.9 10.3 3.1 609.5 9716.7 0.0 87.4 0.0 0.0
849 4.3 110.1 1.2 248.5 55398.8 0.0 5.0 0.0 0.0
849 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
850 4.5 108.8 1.2 407.9 54769.7 0.0 8.2 0.0 0.0
850 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
851 4.5 110.1 1.2 411.4 55264.8 0.0 8.3 0.0 0.0
851 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
852 4.5 108.4 1.2 410.0 55166.9 0.0 8.3 0.0 0.0
852 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
853 4.5 109.2 1.2 409.3 54816.9 0.0 8.3 0.0 0.0
853 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
854 4.5 109.0 1.2 410.2 54496.4 0.0 8.3 0.0 0.0
854 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
855 4.5 110.9 1.2 409.7 55446.2 0.0 8.3 0.0 0.0
855 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
856 4.5 106.9 1.3 407.9 53697.1 0.0 8.2 0.0 0.0
856 7.9 22.5 3.1 597.3 9792.1 0.0 12.1 0.0 0.0
857 4.2 61.4 1.2 253.1 55273.1 0.0 0.8 0.0 0.0
857 7.9 11.2 3.1 608.6 9802.3 0.0 1.8 0.0 0.0
858 4.4 60.7 1.2 416.8 54926.5 0.0 1.2 0.0 0.0
858 7.9 11.2 3.1 608.6 9802.3 0.0 1.8 0.0 0.0
859 4.4 61.4 1.3 416.4 55038.6 0.0 1.2 0.0 0.0
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987 4.6 55.3 1.2 418.5 54872.5 0.0 7.8 0.0 0.0
987 7.9 10.1 3.1 609.8 9793.2 0.0 11.3 0.0 0.0
988 4.5 54.3 1.2 418.5 55234.1 0.0 7.8 0.0 0.0
988 7.9 10.1 3.1 609.8 9793.2 0.0 11.3 0.0 0.0
989 4.6 54.7 1.3 418.4 54866.7 0.0 7.8 0.0 0.0
989 7.9 10.1 3.1 609.8 9793.2 0.0 11.3 0.0 0.0
990 4.6 54.6 1.2 419.1 54601.1 0.0 7.7 0.0 0.0
990 7.9 10.1 3.1 609.8 9793.2 0.0 11.3 0.0 0.0
991 4.5 56.0 1.2 401.3 55308.5 0.0 7.4 0.0 0.0
991 7.9 10.1 3.1 609.8 9793.2 0.0 11.3 0.0 0.0
992 4.6 53.6 1.3 418.4 53664.8 0.0 7.7 0.0 0.0
992 7.9 10.1 3.1 609.8 9793.2 0.0 11.3 0.0 0.0
993 4.3 54.1 1.3 251.6 55046.9 0.0 7.4 0.0 0.0
993 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
994 4.4 53.6 1.2 413.9 54425.7 0.0 12.2 0.0 0.0
994 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
995 4.4 54.1 1.3 420.0 54529.2 0.0 12.4 0.0 0.0
995 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
996 4.4 53.3 1.2 419.2 55122.7 0.0 12.4 0.0 0.0
996 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
997 4.5 53.7 1.2 416.7 54522.8 0.0 12.4 0.0 0.0
997 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
998 4.5 53.6 1.3 416.0 54443.2 0.0 12.3 0.0 0.0
998 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
999 4.5 54.5 1.3 417.0 55368.9 0.0 12.4 0.0 0.0
999 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
1000 4.4 52.7 1.2 418.5 53674.4 0.0 12.3 0.0 0.0
1000 7.9 9.9 3.1 609.9 9786.4 0.0 18.0 0.0 0.0
1001 4.3 57.0 1.2 253.5 55027.1 0.0 31.1 0.0 0.0
1001 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1002 4.5 56.4 1.2 416.8 54521.4 0.0 51.0 0.0 0.0
1002 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1003 4.5 57.1 1.2 417.3 54494.8 0.0 51.2 0.0 0.0
1003 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1004 4.5 56.4 1.3 418.3 54923.2 0.0 51.0 0.0 0.0
1004 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1005 4.5 56.5 1.2 415.9 54581.7 0.0 51.0 0.0 0.0
1005 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1006 4.5 56.5 1.2 417.5 54347.7 0.0 50.9 0.0 0.0
1006 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1007 4.5 57.5 1.3 421.1 55079.8 0.0 51.4 0.0 0.0
1007 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1008 4.5 55.5 1.3 418.7 53430.7 0.0 51.1 0.0 0.0
1008 7.9 10.4 3.1 609.4 9729.8 0.0 74.4 0.0 0.0
1009 4.3 54.5 1.2 252.7 54803.3 0.0 31.8 0.0 0.0
1009 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1010 4.5 53.9 1.2 420.3 54390.0 0.0 53.1 0.0 0.0
1010 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1011 4.5 54.3 1.2 419.9 54422.0 0.0 53.4 0.0 0.0
1011 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1012 4.5 53.8 1.2 419.1 54776.9 0.0 53.1 0.0 0.0
1012 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1013 4.5 54.0 1.3 419.3 54358.0 0.0 53.2 0.0 0.0
1013 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1014 4.4 54.0 1.2 414.7 54196.1 0.0 53.3 0.0 0.0
1014 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1015 4.5 55.0 1.3 419.6 54875.0 0.0 53.3 0.0 0.0
1015 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1016 4.5 53.0 1.2 416.3 53194.5 0.0 52.5 0.0 0.0
1016 7.9 10.0 3.1 609.8 9726.9 0.0 77.3 0.0 0.0
1017 4.3 2643.4 1.2 71.2 55513.5 0.0 5.8 0.0 0.0
1017 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
1018 4.5 2643.5 1.2 117.9 54956.6 0.0 9.6 0.0 0.0
1018 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
1019 4.5 2645.6 1.2 116.9 54981.4 0.0 9.6 0.0 0.0
1019 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
1020 4.5 2639.8 1.2 117.5 55276.5 0.0 9.5 0.0 0.0
1020 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
1021 4.5 2645.9 1.2 117.6 54907.3 0.0 9.5 0.0 0.0
1021 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
1022 4.5 2642.3 1.3 118.1 54846.3 0.0 9.5 0.0 0.0
1022 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
1023 4.5 2646.3 1.2 117.0 55445.6 0.0 9.5 0.0 0.0
1023 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
1024 4.5 2638.7 1.2 118.0 53802.3 0.0 9.6 0.0 0.0
1024 7.9 448.5 3.1 171.3 9790.1 0.0 13.9 0.0 0.0
averaged 4.4 160.4 1.2 383.9 54591.4 0.0 30.5 0.0 0.0
averaged 7.9 28.8 3.1 591.0 9757.3 0.0 46.9 0.0 0.0
1082690504 WORDS OF DYNAMIC MEMORY USED
EXECUTION OF GAMESS TERMINATED NORMALLY 19:35:39 05-AUG-2023
This is a threaded run. In some cases not all
threaded components in GAMESS will saturate the
total number of available threads on your system or
set by OMP_NUM_THREADS
DDI: 1612768040 bytes (1538.1 MB / 192 MWords) used by master data server.
----------------------------------------
CPU timing information for all processes
========================================
0: 58946.462 + 121.21 = 59067.483
1: 58575.910 + 125.520 = 58701.430
2: 58596.577 + 119.352 = 58715.929
3: 59026.181 + 91.745 = 59117.927
4: 58512.86 + 124.581 = 58636.668
5: 58358.226 + 137.856 = 58496.83
6: 59177.983 + 81.954 = 59259.938
7: 57422.839 + 194.959 = 57617.798
8: 57387.206 + 302.162 = 57689.368
9: 56845.926 + 246.616 = 57092.542
10: 57024.935 + 219.650 = 57244.585
11: 57386.263 + 140.693 = 57526.956
12: 56888.285 + 240.875 = 57129.161
13: 56685.942 + 247.236 = 56933.179
14: 57515.489 + 196.491 = 57711.980
15: 55793.751 + 296.893 = 56090.644
16: 55508.645 + 545.194 = 56053.839
17: 55136.62 + 367.236 = 55503.298
18: 55371.981 + 414.274 = 55786.256
19: 55646.455 + 328.621 = 55975.77
20: 55244.443 + 343.720 = 55588.164
21: 55059.717 + 388.53 = 55447.770
22: 55858.512 + 309.96 = 56167.608
23: 54277.576 + 415.438 = 54693.15
24: 55383.603 + 564.162 = 55947.766
25: 55094.389 + 509.509 = 55603.899
26: 55407.157 + 437.754 = 55844.911
27: 55909.438 + 328.823 = 56238.262
28: 55418.741 + 355.430 = 55774.172
29: 55098.283 + 389.611 = 55487.895
30: 55808.921 + 334.160 = 56143.81
31: 54236.991 + 415.748 = 54652.740
32: 55430.430 + 587.416 = 56017.847
33: 55266.540 + 395.452 = 55661.993
34: 55407.765 + 386.341 = 55794.107
35: 55735.434 + 346.745 = 56082.179
36: 55203.406 + 372.319 = 55575.726
37: 55085.605 + 388.881 = 55474.486
38: 55876.521 + 334.575 = 56211.96
39: 54164.958 + 456.357 = 54621.316
40: 55653.27 + 553.823 = 56206.851
41: 55390.123 + 386.84 = 55776.207
42: 55713.963 + 358.866 = 56072.830
43: 55986.766 + 331.91 = 56317.858
44: 55337.513 + 388.244 = 55725.758
45: 55226.207 + 386.189 = 55612.397
46: 56040.577 + 310.64 = 56350.641
47: 54470.264 + 426.104 = 54896.369
48: 55387.312 + 484.798 = 55872.110
49: 54948.458 + 352.496 = 55300.954
50: 55190.69 + 331.158 = 55521.227
51: 55405.09 + 413.721 = 55818.731
52: 55178.247 + 365.394 = 55543.641
53: 54882.552 + 359.495 = 55242.47
54: 55699.106 + 382.138 = 56081.244
55: 53954.673 + 404.419 = 54359.92
56: 54977.851 + 526.618 = 55504.470
57: 54677.438 + 381.479 = 55058.918
58: 54947.175 + 340.484 = 55287.660
59: 55117.713 + 341.340 = 55459.54
60: 54591.29 + 611.953 = 55202.983
61: 54584.196 + 372.433 = 54956.630
62: 55385.831 + 419.975 = 55805.806
63: 53708.746 + 410.441 = 54119.188
64: 55123.514 + 620.845 = 55744.359
65: 54769.579 + 401.514 = 55171.94
66: 54962.553 + 417.680 = 55380.234
67: 55203.438 + 359.718 = 55563.157
68: 54902.477 + 480.993 = 55383.470
69: 54639.977 + 405.544 = 55045.522
70: 55515.709 + 360.339 = 55876.49
71: 53819.374 + 448.258 = 54267.632
72: 55180.524 + 599.562 = 55780.87
73: 54947.966 + 393.547 = 55341.514
74: 55048.889 + 417.90 = 55465.980
75: 55260.434 + 367.396 = 55627.831
76: 54963.60 + 385.90 = 55348.150
77: 54683.918 + 395.527 = 55079.446
78: 55701.379 + 324.532 = 56025.911
79: 53885.199 + 468.941 = 54354.140
80: 55093.414 + 517.43 = 55610.458
81: 54956.333 + 355.64 = 55311.398
82: 55099.348 + 337.458 = 55436.806
83: 55252.63 + 398.530 = 55650.594
84: 54755.523 + 479.700 = 55235.223
85: 54815.326 + 358.06 = 55173.333
86: 55468.509 + 417.713 = 55886.223
87: 53898.885 + 407.64 = 54305.950
88: 55525.428 + 495.168 = 56020.596
89: 55059.775 + 356.474 = 55416.249
90: 55324.688 + 329.296 = 55653.985
91: 55449.765 + 433.816 = 55883.582
92: 55010.71 + 376.774 = 55386.845
93: 55000.843 + 351.914 = 55352.758
94: 55713.257 + 319.869 = 56033.127
95: 54124.827 + 393.09 = 54517.837
96: 55345.694 + 486.597 = 55832.292
97: 55215.124 + 341.400 = 55556.524
98: 55287.368 + 319.835 = 55607.204
99: 55417.21 + 418.16 = 55835.37
100: 55122.997 + 575.754 = 55698.752
101: 55064.750 + 347.376 = 55412.127
102: 55771.672 + 398.441 = 56170.113
103: 54004.712 + 401.56 = 54405.769
104: 54925.365 + 526.77 = 55451.443
105: 54574.481 + 366.832 = 54941.314
106: 54811.734 + 510.229 = 55321.964
107: 55060.489 + 337.865 = 55398.354
108: 54627.620 + 510.291 = 55137.912
109: 54493.620 + 405.660 = 54899.281
110: 55188.622 + 420.28 = 55608.651
111: 53530.652 + 452.39 = 53982.692
112: 55590.293 + 465.679 = 56055.973
113: 55270.31 + 324.485 = 55594.516
114: 55351.246 + 331.936 = 55683.182
115: 55641.552 + 290.246 = 55931.798
116: 55341.314 + 352.383 = 55693.697
117: 55157.02 + 409.284 = 55566.286
118: 55830.957 + 290.211 = 56121.168
119: 54219.444 + 420.656 = 54640.100
120: 55221.449 + 503.958 = 55725.407
121: 54848.330 + 350.20 = 55198.351
122: 55000.799 + 485.305 = 55486.105
123: 55188.907 + 323.636 = 55512.543
124: 54868.624 + 483.417 = 55352.41
125: 54742.44 + 433.750 = 55175.795
126: 55599.65 + 300.149 = 55899.214
127: 53925.606 + 444.699 = 54370.305
128: 55185.566 + 524.326 = 55709.893
129: 54931.950 + 359.935 = 55291.886
130: 55145.393 + 355.236 = 55500.629
131: 55357.642 + 320.957 = 55678.599
132: 54985.881 + 417.570 = 55403.451
133: 54813.791 + 371.787 = 55185.579
134: 55555.335 + 327.302 = 55882.638
135: 53916.294 + 412.775 = 54329.69
136: 55534.265 + 477.354 = 56011.620
137: 55279.480 + 337.782 = 55617.262
138: 55372.62 + 315.416 = 55687.478
139: 55669.783 + 328.735 = 55998.518
140: 55261.583 + 362.775 = 55624.358
141: 55175.524 + 341.890 = 55517.415
142: 55883.787 + 389.487 = 56273.275
143: 54252.502 + 391.371 = 54643.874
144: 55160.925 + 511.643 = 55672.569
145: 54801.177 + 364.719 = 55165.896
146: 55063.203 + 342.61 = 55405.264
147: 55374.598 + 350.172 = 55724.770
148: 54780.118 + 540.111 = 55320.230
149: 54657.844 + 371.24 = 55028.869
150: 55452.119 + 347.208 = 55799.328
151: 53785.408 + 411.217 = 54196.625
152: 54975.884 + 525.716 = 55501.601
153: 54943.931 + 351.440 = 55295.371
154: 54832.853 + 432.786 = 55265.639
155: 55131.40 + 324.355 = 55455.396
156: 54618.662 + 360.519 = 54979.181
157: 54477.187 + 445.780 = 54922.968
158: 55430.405 + 369.167 = 55799.572
159: 53558.838 + 465.247 = 54024.85
160: 55256.96 + 506.859 = 55762.956
161: 54996.595 + 357.87 = 55353.682
162: 55106.535 + 332.901 = 55439.436
163: 55257.499 + 437.446 = 55694.946
164: 54992.532 + 495.65 = 55487.597
165: 54819.953 + 369.549 = 55189.502
166: 55677.659 + 403.301 = 56080.961
167: 53932.411 + 435.559 = 54367.970
168: 55348.492 + 496.975 = 55845.468
169: 55183.111 + 340.868 = 55523.980
170: 55446.980 + 332.80 = 55779.61
171: 55608.439 + 374.815 = 55983.254
172: 55070.755 + 345.167 = 55415.923
173: 54996.954 + 342.576 = 55339.530
174: 55710.422 + 305.62 = 56015.485
175: 54176.999 + 392.233 = 54569.233
176: 55349.762 + 497.133 = 55846.895
177: 55207.573 + 335.808 = 55543.382
178: 55182.426 + 376.437 = 55558.863
179: 55509.492 + 314.514 = 55824.07
180: 55105.644 + 438.568 = 55544.213
181: 55009.169 + 396.710 = 55405.879
182: 55740.698 + 369.105 = 56109.804
183: 54032.28 + 443.248 = 54475.277
184: 55221.25 + 500.938 = 55721.964
185: 55067.232 + 350.718 = 55417.950
186: 55097.227 + 346.656 = 55443.884
187: 55432.432 + 423.560 = 55855.992
188: 55113.309 + 494.473 = 55607.783
189: 54726.223 + 373.684 = 55099.907
190: 55532.516 + 376.45 = 55908.562
191: 53898.268 + 415.456 = 54313.724
192: 55545.183 + 479.315 = 56024.498
193: 55080.829 + 347.261 = 55428.91
194: 55302.638 + 317.711 = 55620.350
195: 55572.513 + 390.239 = 55962.753
196: 55064.10 + 487.700 = 55551.710
197: 54972.264 + 345.710 = 55317.974
198: 55559.378 + 391.379 = 55950.758
199: 54161.707 + 392.168 = 54553.876
200: 54795.369 + 539.275 = 55334.644
201: 54587.447 + 379.850 = 54967.297
202: 54884.69 + 340.213 = 55224.282
203: 54941.239 + 402.714 = 55343.954
204: 54519.60 + 530.419 = 55049.479
205: 54654.709 + 367.208 = 55021.917
206: 55429.217 + 418.280 = 55847.497
207: 53499.142 + 423.333 = 53922.476
208: 55136.678 + 508.864 = 55645.542
209: 54728.410 + 370.66 = 55098.476
210: 54987.156 + 346.519 = 55333.675
211: 55200.256 + 435.153 = 55635.409
212: 54912.878 + 475.432 = 55388.311
213: 54903.05 + 367.991 = 55270.996
214: 55559.551 + 398.485 = 55958.36
215: 53789.807 + 408.679 = 54198.487
216: 55081.701 + 517.137 = 55598.838
217: 54859.196 + 348.224 = 55207.420
218: 54920.556 + 443.577 = 55364.133
219: 55328.955 + 309.331 = 55638.287
220: 54868.122 + 459.58 = 55327.180
221: 54653.407 + 414.235 = 55067.642
222: 55431.557 + 304.232 = 55735.789
223: 53743.260 + 446.819 = 54190.80
224: 55499.774 + 471.840 = 55971.614
225: 55230.617 + 335.464 = 55566.81
226: 55374.909 + 310.364 = 55685.274
227: 55689.998 + 380.468 = 56070.466
228: 55257.562 + 472.149 = 55729.712
229: 55178.881 + 330.411 = 55509.293
230: 55853.705 + 293.530 = 56147.236
231: 54212.231 + 387.359 = 54599.590
232: 55239.155 + 503.428 = 55742.584
233: 55019.804 + 351.602 = 55371.406
234: 54906.563 + 340.620 = 55247.184
235: 55295.237 + 427.302 = 55722.540
236: 54834.417 + 386.280 = 55220.697
237: 54814.606 + 353.96 = 55167.702
238: 55535.676 + 421.439 = 55957.116
239: 53925.819 + 406.230 = 54332.50
240: 54995.665 + 531.28 = 55526.694
241: 54949.172 + 348.190 = 55297.363
242: 55017.990 + 433.980 = 55451.970
243: 55262.414 + 320.974 = 55583.388
244: 54647.331 + 457.787 = 55105.119
245: 54579.717 + 425.145 = 55004.862
246: 55377.411 + 313.27 = 55690.439
247: 53700.999 + 461.928 = 54162.927
248: 55017.914 + 528.909 = 55546.823
249: 54961.837 + 363.339 = 55325.177
250: 54894.935 + 354.950 = 55249.886
251: 55103.133 + 442.989 = 55546.123
252: 54737.618 + 538.457 = 55276.76
253: 54695.271 + 390.348 = 55085.619
254: 55413.656 + 425.54 = 55838.710
255: 53964.737 + 411.843 = 54376.581
256: 55013.485 + 524.913 = 55538.398
257: 54789.330 + 366.318 = 55155.649
258: 54938.699 + 350.923 = 55289.623
259: 55175.579 + 418.348 = 55593.927
260: 54758.744 + 580.849 = 55339.593
261: 54647.939 + 371.812 = 55019.751
262: 55368.205 + 381.546 = 55749.751
263: 53665.624 + 412.826 = 54078.451
264: 57304.952 + 274.864 = 57579.816
265: 56823.379 + 229.874 = 57053.254
266: 56965.49 + 205.356 = 57170.406
267: 57469.755 + 183.476 = 57653.232
268: 56928.536 + 219.122 = 57147.658
269: 56744.977 + 220.95 = 56965.72
270: 57481.02 + 182.152 = 57663.154
271: 55838.659 + 273.458 = 56112.117
272: 55230.61 + 511.813 = 55741.875
273: 54754.155 + 365.669 = 55119.825
274: 55018.275 + 340.900 = 55359.176
275: 55125.32 + 433.710 = 55558.743
276: 54790.246 + 364.744 = 55154.991
277: 54677.545 + 368.14 = 55045.560
278: 55521.525 + 316.390 = 55837.916
279: 53771.387 + 416.42 = 54187.429
280: 55572.775 + 468.619 = 56041.394
281: 55184.631 + 341.657 = 55526.288
282: 55456.986 + 325.90 = 55782.77
283: 55584.530 + 425.713 = 56010.243
284: 55242.300 + 550.899 = 55793.199
285: 55323.840 + 323.799 = 55647.640
286: 55814.609 + 340.652 = 56155.261
287: 54184.398 + 382.253 = 54566.652
288: 55112.259 + 515.78 = 55627.338
289: 54805.196 + 363.513 = 55168.709
290: 54910.108 + 341.96 = 55251.205
291: 55202.586 + 422.631 = 55625.218
292: 54759.767 + 360.25 = 55119.792
293: 54631.352 + 357.301 = 54988.653
294: 55561.808 + 405.240 = 55967.49
295: 54002.502 + 399.972 = 54402.474
296: 55624.581 + 469.208 = 56093.790
297: 55417.131 + 328.87 = 55745.219
298: 55480.252 + 330.855 = 55811.107
299: 55714.575 + 288.53 = 56002.629
300: 55291.807 + 340.662 = 55632.469
301: 55115.614 + 367.451 = 55483.65
302: 55932.738 + 324.555 = 56257.293
303: 54103.145 + 432.512 = 54535.657
304: 55267.210 + 507.526 = 55774.736
305: 55042.560 + 359.149 = 55401.710
306: 55196.02 + 326.511 = 55522.514
307: 55317.478 + 429.98 = 55746.577
308: 55231.912 + 467.679 = 55699.591
309: 55005.38 + 348.224 = 55353.263
310: 55651.235 + 321.345 = 55972.581
311: 54125.295 + 399.624 = 54524.920
312: 55768.80 + 454.388 = 56222.469
313: 55232.386 + 349.211 = 55581.598
314: 55342.538 + 343.299 = 55685.837
315: 55645.76 + 301.126 = 55946.202
316: 55183.760 + 407.642 = 55591.402
317: 54990.504 + 427.595 = 55418.100
318: 55786.614 + 282.957 = 56069.572
319: 54324.175 + 419.705 = 54743.881
320: 55139.987 + 505.709 = 55645.696
321: 54895.662 + 358.220 = 55253.882
322: 54937.756 + 339.341 = 55277.97
323: 55433.128 + 419.586 = 55852.715
324: 54884.477 + 561.199 = 55445.677
325: 54811.391 + 344.813 = 55156.205
326: 55609.39 + 379.732 = 55988.772
327: 54160.917 + 391.953 = 54552.870
328: 55243.97 + 505.397 = 55748.494
329: 54941.644 + 359.237 = 55300.881
330: 55167.844 + 328.860 = 55496.705
331: 55333.781 + 368.281 = 55702.62
332: 54826.256 + 484.941 = 55311.197
333: 54818.707 + 363.426 = 55182.133
334: 55545.810 + 361.119 = 55906.929
335: 53940.647 + 399.284 = 54339.931
336: 55261.634 + 506.608 = 55768.243
337: 54834.494 + 357.656 = 55192.150
338: 55006.29 + 451.416 = 55457.446
339: 55396.953 + 314.510 = 55711.464
340: 54936.595 + 423.720 = 55360.315
341: 54747.891 + 417.58 = 55164.950
342: 55534.580 + 295.799 = 55830.379
343: 53981.630 + 429.874 = 54411.505
344: 55081.957 + 516.538 = 55598.495
345: 54690.731 + 377.65 = 55067.797
346: 54964.838 + 347.858 = 55312.697
347: 54995.433 + 456.936 = 55452.369
348: 54824.320 + 469.425 = 55293.746
349: 54522.534 + 364.833 = 54887.368
350: 55483.901 + 320.416 = 55804.317
351: 53779.163 + 403.685 = 54182.848
352: 55579.43 + 472.588 = 56051.631
353: 55402.153 + 333.698 = 55735.851
354: 55497.992 + 330.644 = 55828.637
355: 55748.666 + 321.266 = 56069.932
356: 55286.625 + 337.74 = 55623.700
357: 55358.836 + 337.515 = 55696.352
358: 56028.653 + 355.883 = 56384.536
359: 54351.360 + 386.457 = 54737.818
360: 55021.193 + 526.600 = 55547.793
361: 54686.576 + 378.255 = 55064.832
362: 54967.819 + 366.728 = 55334.547
363: 55235.485 + 432.279 = 55667.765
364: 54633.396 + 610.219 = 55243.616
365: 54464.907 + 372.723 = 54837.630
366: 55363.447 + 381.619 = 55745.67
367: 53696.433 + 415.505 = 54111.938
368: 55269.258 + 494.638 = 55763.896
369: 54865.18 + 351.793 = 55216.811
370: 55117.125 + 357.35 = 55474.161
371: 55424.213 + 302.154 = 55726.367
372: 54970.492 + 452.953 = 55423.445
373: 54870.419 + 411.770 = 55282.190
374: 55810.309 + 290.11 = 56100.321
375: 53905.546 + 390.567 = 54296.113
376: 55432.348 + 483.310 = 55915.659
377: 55290.17 + 331.175 = 55621.192
378: 55231.681 + 327.697 = 55559.378
379: 55670.269 + 294.857 = 55965.127
380: 55259.934 + 338.414 = 55598.348
381: 54958.493 + 397.380 = 55355.873
382: 55732.150 + 359.988 = 56092.138
383: 54169.850 + 394.411 = 54564.262
384: 55301.315 + 488.145 = 55789.460
385: 55059.147 + 348.152 = 55407.299
386: 55172.71 + 328.966 = 55501.37
387: 55485.415 + 322.629 = 55808.45
388: 55129.166 + 475.892 = 55605.58
389: 55045.373 + 330.937 = 55376.310
390: 55814.942 + 367.386 = 56182.329
391: 54031.172 + 398.539 = 54429.712
392: 55513.855 + 476.819 = 55990.675
393: 55203.771 + 338.607 = 55542.379
394: 55265.158 + 325.30 = 55590.188
395: 55605.963 + 372.191 = 55978.154
396: 55155.246 + 345.337 = 55500.583
397: 54999.256 + 346.218 = 55345.474
398: 55700.117 + 394.352 = 56094.469
399: 54072.591 + 399.671 = 54472.263
400: 55224.200 + 504.39 = 55728.239
401: 55125.566 + 344.292 = 55469.859
402: 55151.18 + 333.788 = 55484.806
403: 55468.983 + 434.286 = 55903.270
404: 55002.887 + 393.246 = 55396.134
405: 54917.74 + 357.784 = 55274.858
406: 55585.708 + 392.268 = 55977.976
407: 54051.408 + 394.891 = 54446.300
408: 55255.565 + 499.489 = 55755.54
409: 55095.839 + 347.90 = 55442.930
410: 55294.304 + 392.956 = 55687.260
411: 55540.839 + 307.610 = 55848.449
412: 55128.355 + 404.284 = 55532.639
413: 54921.505 + 355.488 = 55276.993
414: 55602.145 + 401.628 = 56003.773
415: 53950.483 + 391.784 = 54342.268
416: 55424.898 + 479.628 = 55904.526
417: 55247.377 + 332.117 = 55579.495
418: 55181.495 + 446.871 = 55628.366
419: 55613.368 + 302.864 = 55916.233
420: 55031.251 + 451.932 = 55483.183
421: 54967.64 + 388.03 = 55355.67
422: 55838.267 + 335.122 = 56173.390
423: 54073.616 + 403.669 = 54477.286
424: 55614.701 + 468.381 = 56083.82
425: 55356.341 + 332.08 = 55688.350
426: 55580.447 + 327.261 = 55907.708
427: 55776.919 + 326.123 = 56103.43
428: 55333.439 + 332.971 = 55666.411
429: 55174.442 + 340.412 = 55514.855
430: 55904.823 + 346.923 = 56251.747
431: 54165.73 + 389.468 = 54554.541
432: 55183.394 + 508.910 = 55692.305
433: 54803.986 + 358.279 = 55162.266
434: 55065.250 + 356.987 = 55422.238
435: 55315.94 + 321.217 = 55636.312
436: 54973.603 + 446.423 = 55420.27
437: 54771.873 + 420.697 = 55192.571
438: 55450.356 + 390.757 = 55841.114
439: 53827.994 + 457.852 = 54285.847
440: 55298.741 + 488.768 = 55787.510
441: 54918.596 + 350.489 = 55269.85
442: 55013.836 + 351.625 = 55365.461
443: 55441.454 + 305.542 = 55746.996
444: 54897.861 + 432.572 = 55330.433
445: 54699.251 + 422.494 = 55121.745
446: 55744.837 + 345.270 = 56090.107
447: 54019.726 + 443.451 = 54463.178
448: 55236.815 + 492.849 = 55729.665
449: 54927.33 + 350.396 = 55277.429
450: 55272.270 + 325.651 = 55597.922
451: 55265.232 + 395.102 = 55660.334
452: 54959.576 + 538.672 = 55498.248
453: 54951.212 + 338.486 = 55289.699
454: 55466.91 + 413.480 = 55879.571
455: 53902.410 + 405.815 = 54308.226
456: 55225.652 + 501.523 = 55727.175
457: 54989.409 + 357.561 = 55346.970
458: 55213.819 + 325.306 = 55539.125
459: 55325.520 + 429.554 = 55755.74
460: 54926.596 + 552.389 = 55478.986
461: 54859.258 + 352.835 = 55212.93
462: 55609.260 + 318.332 = 55927.593
463: 54028.836 + 398.541 = 54427.377
464: 55602.728 + 468.722 = 56071.451
465: 55388.518 + 336.875 = 55725.393
466: 55495.86 + 316.176 = 55811.262
467: 55828.517 + 398.396 = 56226.913
468: 55293.51 + 344.353 = 55637.405
469: 55099.389 + 339.179 = 55438.569
470: 55986.811 + 356.226 = 56343.37
471: 54406.531 + 388.166 = 54794.697
472: 55509.766 + 476.880 = 55986.646
473: 55396.44 + 332.57 = 55728.101
474: 55657.664 + 377.756 = 56035.420
475: 55704.962 + 292.630 = 55997.593
476: 55292.503 + 328.27 = 55620.530
477: 55148.701 + 391.216 = 55539.918
478: 55907.688 + 269.253 = 56176.941
479: 54169.437 + 375.262 = 54544.699
480: 55294.52 + 494.244 = 55788.296
481: 54990.556 + 354.768 = 55345.324
482: 55141.30 + 343.951 = 55484.982
483: 55283.807 + 444.162 = 55727.969
484: 55020.594 + 565.557 = 55586.152
485: 54801.441 + 356.510 = 55157.952
486: 55685.945 + 322.874 = 56008.819
487: 53982.497 + 404.704 = 54387.201
488: 55535.57 + 473.585 = 56008.642
489: 55144.770 + 345.488 = 55490.259
490: 55309.124 + 318.951 = 55628.76
491: 55543.469 + 407.607 = 55951.76
492: 55344.43 + 350.785 = 55694.828
493: 55196.819 + 332.517 = 55529.337
494: 55880.529 + 394.679 = 56275.208
495: 54220.955 + 390.990 = 54611.945
496: 55245.794 + 506.627 = 55752.422
497: 55034.09 + 354.616 = 55388.625
498: 55200.366 + 336.970 = 55537.337
499: 55457.943 + 409.713 = 55867.656
500: 54930.843 + 361.330 = 55292.173
501: 54797.284 + 371.60 = 55168.345
502: 55627.587 + 369.969 = 55997.557
503: 53849.928 + 415.664 = 54265.592
504: 55168.929 + 511.158 = 55680.87
505: 54975.753 + 357.161 = 55332.915
506: 55091.167 + 338.568 = 55429.735
507: 55431.545 + 439.365 = 55870.910
508: 54881.844 + 587.113 = 55468.958
509: 54720.994 + 358.855 = 55079.849
510: 55335.611 + 436.700 = 55772.312
511: 53849.308 + 400.07 = 54249.316
512: 55535.687 + 472.103 = 56007.791
513: 55293.868 + 342.668 = 55636.537
514: 55534.800 + 313.156 = 55847.956
515: 55738.175 + 361.420 = 56099.595
516: 55435.110 + 391.811 = 55826.922
517: 55164.410 + 334.984 = 55499.395
518: 55988.471 + 286.585 = 56275.56
519: 54190.530 + 388.568 = 54579.99
520: 57317.171 + 269.644 = 57586.816
521: 56956.943 + 218.164 = 57175.108
522: 57029.758 + 197.317 = 57227.76
523: 57373.778 + 187.449 = 57561.227
524: 56825.515 + 222.65 = 57047.581
525: 56712.581 + 219.409 = 56931.991
526: 57528.385 + 175.332 = 57703.717
527: 55886.764 + 268.551 = 56155.315
528: 55432.235 + 486.173 = 55918.409
529: 55181.350 + 336.834 = 55518.184
530: 55184.378 + 355.302 = 55539.681
531: 55476.720 + 309.609 = 55786.329
532: 55215.161 + 411.436 = 55626.597
533: 54666.692 + 453.982 = 55120.674
534: 55778.384 + 346.457 = 56124.841
535: 53965.325 + 430.286 = 54395.611
536: 55510.44 + 490.167 = 56000.212
537: 55160.288 + 338.626 = 55498.914
538: 55451.662 + 316.410 = 55768.73
539: 55607.516 + 297.74 = 55904.591
540: 55406.275 + 323.840 = 55730.115
541: 55054.233 + 343.239 = 55397.473
542: 55727.114 + 287.603 = 56014.718
543: 54162.645 + 389.224 = 54551.869
544: 55427.112 + 487.289 = 55914.401
545: 55195.167 + 347.842 = 55543.10
546: 55244.490 + 329.797 = 55574.288
547: 55585.222 + 338.118 = 55923.341
548: 55218.834 + 359.653 = 55578.487
549: 55107.218 + 333.22 = 55440.241
550: 55696.236 + 359.935 = 56056.171
551: 54101.403 + 396.77 = 54497.480
552: 55811.735 + 431.426 = 56243.162
553: 55336.624 + 320.487 = 55657.112
554: 55537.145 + 293.438 = 55830.583
555: 55782.88 + 304.576 = 56086.664
556: 55355.988 + 365.857 = 55721.846
557: 55230.814 + 309.791 = 55540.605
558: 55996.369 + 273.738 = 56270.107
559: 54513.44 + 359.254 = 54872.299
560: 55271.167 + 510.894 = 55782.62
561: 55012.489 + 354.122 = 55366.612
562: 55116.621 + 329.310 = 55445.931
563: 55406.704 + 323.557 = 55730.261
564: 54969.442 + 401.838 = 55371.280
565: 54917.358 + 352.738 = 55270.96
566: 55539.968 + 366.244 = 55906.212
567: 53866.588 + 411.588 = 54278.176
568: 55396.766 + 494.253 = 55891.20
569: 55131.170 + 354.953 = 55486.124
570: 55297.697 + 339.169 = 55636.867
571: 55513.129 + 357.435 = 55870.564
572: 55098.568 + 341.968 = 55440.537
573: 54813.840 + 349.399 = 55163.239
574: 55554.981 + 392.560 = 55947.541
575: 54092.354 + 393.798 = 54486.152
576: 55328.262 + 496.648 = 55824.910
577: 55044.976 + 350.591 = 55395.568
578: 55153.475 + 324.170 = 55477.646
579: 55500.60 + 391.575 = 55891.636
580: 55141.493 + 368.765 = 55510.259
581: 54968.554 + 341.687 = 55310.242
582: 55684.843 + 384.682 = 56069.526
583: 54206.833 + 385.894 = 54592.727
584: 55073.553 + 508.589 = 55582.142
585: 54834.15 + 363.865 = 55197.881
586: 54897.166 + 354.614 = 55251.781
587: 55225.904 + 412.627 = 55638.531
588: 54727.883 + 541.567 = 55269.450
589: 54683.687 + 362.453 = 55046.141
590: 55526.872 + 356.929 = 55883.802
591: 53700.27 + 418.57 = 54118.84
592: 55295.725 + 504.366 = 55800.91
593: 54788.721 + 357.300 = 55146.22
594: 55120.531 + 412.710 = 55533.242
595: 55517.798 + 309.307 = 55827.106
596: 54912.415 + 466.853 = 55379.268
597: 54764.358 + 403.944 = 55168.303
598: 55543.904 + 308.884 = 55852.788
599: 53798.931 + 403.250 = 54202.182
600: 55059.840 + 523.150 = 55582.990
601: 54791.808 + 381.00 = 55172.808
602: 55008.170 + 337.595 = 55345.765
603: 55302.52 + 353.819 = 55655.871
604: 54791.775 + 470.889 = 55262.664
605: 54872.967 + 359.783 = 55232.750
606: 55427.993 + 411.187 = 55839.181
607: 53740.741 + 419.68 = 54159.810
608: 55532.267 + 474.120 = 56006.388
609: 55202.341 + 346.149 = 55548.491
610: 55432.796 + 327.51 = 55759.848
611: 55482.790 + 425.889 = 55908.679
612: 55249.427 + 576.216 = 55825.644
613: 55083.141 + 342.917 = 55426.59
614: 55925.627 + 400.146 = 56325.773
615: 54228.870 + 388.640 = 54617.511
616: 55358.620 + 504.568 = 55863.189
617: 55011.560 + 359.505 = 55371.65
618: 55325.46 + 334.235 = 55659.282
619: 55396.526 + 427.18 = 55823.545
620: 55094.339 + 362.41 = 55456.380
621: 54892.638 + 372.529 = 55265.168
622: 55538.258 + 316.39 = 55854.297
623: 54101.523 + 421.349 = 54522.872
624: 55503.443 + 483.93 = 55986.537
625: 55317.929 + 333.960 = 55651.889
626: 55432.390 + 307.576 = 55739.967
627: 55640.112 + 320.826 = 55960.938
628: 55310.455 + 504.623 = 55815.78
629: 55026.135 + 355.437 = 55381.572
630: 55761.986 + 406.106 = 56168.92
631: 54232.429 + 378.139 = 54610.569
632: 55275.464 + 508.286 = 55783.751
633: 55090.452 + 349.379 = 55439.832
634: 55233.40 + 354.784 = 55587.824
635: 55363.987 + 406.710 = 55770.698
636: 55136.820 + 339.899 = 55476.719
637: 54906.413 + 357.55 = 55263.468
638: 55612.381 + 311.478 = 55923.860
639: 53986.485 + 405.452 = 54391.938
640: 55253.443 + 511.815 = 55765.258
641: 55272.894 + 336.593 = 55609.487
642: 55093.706 + 333.472 = 55427.178
643: 55434.169 + 323.812 = 55757.981
644: 54994.451 + 497.815 = 55492.266
645: 54904.37 + 350.394 = 55254.432
646: 55541.538 + 315.635 = 55857.173
647: 53930.836 + 401.239 = 54332.75
648: 55556.814 + 464.753 = 56021.568
649: 55192.272 + 340.07 = 55532.280
650: 55293.200 + 318.480 = 55611.680
651: 55693.678 + 326.681 = 56020.359
652: 55336.326 + 512.81 = 55848.407
653: 55183.258 + 338.19 = 55521.277
654: 55831.156 + 386.465 = 56217.621
655: 54216.817 + 381.654 = 54598.471
656: 55390.148 + 487.761 = 55877.909
657: 55043.859 + 353.792 = 55397.652
658: 55303.659 + 319.453 = 55623.113
659: 55766.663 + 299.660 = 56066.323
660: 55129.194 + 355.978 = 55485.172
661: 55090.646 + 343.905 = 55434.551
662: 55825.562 + 367.720 = 56193.282
663: 54239.476 + 389.488 = 54628.965
664: 55262.151 + 509.299 = 55771.450
665: 54955.385 + 349.509 = 55304.895
666: 55132.400 + 342.203 = 55474.603
667: 55280.611 + 322.920 = 55603.531
668: 54973.244 + 455.751 = 55428.995
669: 54689.347 + 436.500 = 55125.848
670: 55515.112 + 301.322 = 55816.435
671: 53875.694 + 429.365 = 54305.60
672: 55350.753 + 493.826 = 55844.579
673: 54800.325 + 373.302 = 55173.627
674: 55069.872 + 349.738 = 55419.610
675: 55253.328 + 428.759 = 55682.88
676: 54864.232 + 366.46 = 55230.278
677: 54718.886 + 369.856 = 55088.743
678: 55651.266 + 399.593 = 56050.860
679: 53870.663 + 411.556 = 54282.219
680: 55362.999 + 510.656 = 55873.655
681: 54977.353 + 351.288 = 55328.642
682: 55136.655 + 339.508 = 55476.164
683: 55363.215 + 308.794 = 55672.09
684: 54910.260 + 460.195 = 55370.455
685: 54754.387 + 364.285 = 55118.673
686: 55721.987 + 289.726 = 56011.714
687: 53953.129 + 405.26 = 54358.155
688: 55309.539 + 498.969 = 55808.509
689: 55072.534 + 333.865 = 55406.399
690: 55128.227 + 351.51 = 55479.278
691: 55433.88 + 314.536 = 55747.625
692: 54984.529 + 347.861 = 55332.391
693: 54809.962 + 433.32 = 55242.994
694: 55582.894 + 385.396 = 55968.290
695: 53808.492 + 399.49 = 54207.542
696: 55337.418 + 497.780 = 55835.199
697: 55028.188 + 349.25 = 55377.214
698: 55145.441 + 336.482 = 55481.924
699: 55377.108 + 333.670 = 55710.779
700: 55227.143 + 332.578 = 55559.722
701: 54867.852 + 345.46 = 55212.899
702: 55611.127 + 356.345 = 55967.472
703: 54007.194 + 404.272 = 54411.467
704: 55243.86 + 505.737 = 55748.824
705: 54953.594 + 349.799 = 55303.393
706: 54927.954 + 461.139 = 55389.94
707: 55271.288 + 311.724 = 55583.13
708: 54894.539 + 426.750 = 55321.289
709: 54677.182 + 410.137 = 55087.320
710: 55531.295 + 367.160 = 55898.456
711: 53809.886 + 398.599 = 54208.485
712: 55175.778 + 507.626 = 55683.404
713: 54842.717 + 363.283 = 55206.00
714: 55045.427 + 363.144 = 55408.572
715: 55410.692 + 334.415 = 55745.107
716: 54931.754 + 358.83 = 55289.837
717: 54825.382 + 357.184 = 55182.567
718: 55633.818 + 332.882 = 55966.700
719: 53865.684 + 412.457 = 54278.141
720: 55655.930 + 468.423 = 56124.354
721: 55289.553 + 327.696 = 55617.249
722: 55518.982 + 332.838 = 55851.820
723: 55718.687 + 291.781 = 56010.468
724: 55334.342 + 331.08 = 55665.351
725: 55098.794 + 413.185 = 55511.979
726: 55953.209 + 270.604 = 56223.814
727: 54358.639 + 365.22 = 54723.662
728: 55272.115 + 502.234 = 55774.349
729: 54910.892 + 355.277 = 55266.169
730: 55173.604 + 334.446 = 55508.51
731: 55286.786 + 378.412 = 55665.199
732: 55059.905 + 357.590 = 55417.496
733: 54883.247 + 354.328 = 55237.576
734: 55584.349 + 355.799 = 55940.149
735: 53872.757 + 411.102 = 54283.860
736: 55437.664 + 499.689 = 55937.353
737: 55260.928 + 349.761 = 55610.690
738: 55498.526 + 310.07 = 55808.533
739: 55681.886 + 327.587 = 56009.473
740: 55010.462 + 407.70 = 55417.532
741: 54983.473 + 352.394 = 55335.867
742: 55625.546 + 315.540 = 55941.87
743: 54159.149 + 395.456 = 54554.605
744: 55580.40 + 474.677 = 56054.718
745: 55214.592 + 339.374 = 55553.966
746: 55335.613 + 334.671 = 55670.284
747: 55708.548 + 296.405 = 56004.954
748: 55324.616 + 427.33 = 55751.649
749: 55076.172 + 358.662 = 55434.834
750: 55772.701 + 375.359 = 56148.61
751: 54259.154 + 395.359 = 54654.514
752: 55448.583 + 507.01 = 55955.584
753: 54818.708 + 362.759 = 55181.468
754: 55046.856 + 350.88 = 55396.944
755: 55423.240 + 320.941 = 55744.181
756: 55034.532 + 349.337 = 55383.870
757: 54901.357 + 379.255 = 55280.612
758: 55633.60 + 398.834 = 56031.894
759: 53973.486 + 414.743 = 54388.230
760: 55550.886 + 487.346 = 56038.233
761: 55040.967 + 343.513 = 55384.480
762: 55254.572 + 423.223 = 55677.795
763: 55452.671 + 328.661 = 55781.333
764: 55053.293 + 350.282 = 55403.576
765: 54973.919 + 405.366 = 55379.286
766: 55619.173 + 397.953 = 56017.127
767: 53897.455 + 453.451 = 54350.906
768: 55485.912 + 474.694 = 55960.607
769: 55435.312 + 325.672 = 55760.984
770: 55430.637 + 318.626 = 55749.264
771: 55556.299 + 337.855 = 55894.154
772: 55151.12 + 518.534 = 55669.546
773: 55045.542 + 343.634 = 55389.177
774: 55799.731 + 299.894 = 56099.625
775: 54157.789 + 392.283 = 54550.73
776: 55196.259 + 497.595 = 55693.855
777: 55056.336 + 346.347 = 55402.683
778: 55262.203 + 327.94 = 55589.298
779: 55416.908 + 406.227 = 55823.136
780: 54858.591 + 499.279 = 55357.871
781: 55003.610 + 347.508 = 55351.118
782: 55520.350 + 396.158 = 55916.508
783: 53878.848 + 406.702 = 54285.551
784: 55618.205 + 476.694 = 56094.900
785: 55128.655 + 337.815 = 55466.471
786: 55457.627 + 335.93 = 55792.720
787: 55670.33 + 303.667 = 55973.701
788: 55381.186 + 441.857 = 55823.43
789: 55092.839 + 343.543 = 55436.382
790: 55929.421 + 349.79 = 56278.500
791: 54071.389 + 403.986 = 54475.375
792: 55260.837 + 506.313 = 55767.151
793: 54835.264 + 353.50 = 55188.315
794: 55029.47 + 449.414 = 55478.461
795: 55404.737 + 311.840 = 55716.578
796: 54999.91 + 399.145 = 55398.236
797: 54743.36 + 428.357 = 55171.393
798: 55476.513 + 374.491 = 55851.04
799: 53870.286 + 438.816 = 54309.103
800: 55297.196 + 487.117 = 55784.313
801: 54981.998 + 351.672 = 55333.670
802: 55191.75 + 346.345 = 55537.421
803: 55392.910 + 427.693 = 55820.603
804: 55172.574 + 491.116 = 55663.691
805: 54982.951 + 350.86 = 55333.37
806: 55742.437 + 409.190 = 56151.627
807: 54010.960 + 403.51 = 54414.11
808: 55193.96 + 508.860 = 55701.956
809: 54788.246 + 365.278 = 55153.525
810: 54870.375 + 428.615 = 55298.990
811: 55187.814 + 320.572 = 55508.387
812: 54768.822 + 458.623 = 55227.446
813: 54973.25 + 404.212 = 55377.237
814: 55409.284 + 337.814 = 55747.98
815: 53800.575 + 431.280 = 54231.856
816: 55596.986 + 465.164 = 56062.150
817: 55384.932 + 326.891 = 55711.823
818: 55423.563 + 317.794 = 55741.358
819: 55754.410 + 346.472 = 56100.883
820: 55380.21 + 349.366 = 55729.387
821: 55261.439 + 318.451 = 55579.890
822: 55859.780 + 384.928 = 56244.709
823: 54252.520 + 374.842 = 54627.362
824: 55503.528 + 477.856 = 55981.384
825: 55393.287 + 331.930 = 55725.217
826: 55232.309 + 323.165 = 55555.475
827: 55653.694 + 337.172 = 55990.867
828: 55084.924 + 356.467 = 55441.392
829: 55039.665 + 339.605 = 55379.271
830: 55876.807 + 305.528 = 56182.335
831: 54086.570 + 400.352 = 54486.922
832: 55387.81 + 481.883 = 55868.964
833: 55087.981 + 341.472 = 55429.454
834: 55284.611 + 343.843 = 55628.454
835: 55696.88 + 288.180 = 55984.268
836: 55016.427 + 437.172 = 55453.600
837: 55090.727 + 368.356 = 55459.84
838: 55685.908 + 286.329 = 55972.238
839: 54137.24 + 392.735 = 54529.760
840: 55039.140 + 528.974 = 55568.114
841: 54754.456 + 354.436 = 55108.892
842: 54934.135 + 449.122 = 55383.257
843: 55250.835 + 318.97 = 55568.933
844: 54652.933 + 470.784 = 55123.717
845: 54615.877 + 362.211 = 54978.88
846: 55491.278 + 304.584 = 55795.863
847: 53647.459 + 448.169 = 54095.628
848: 55772.51 + 449.761 = 56221.812
849: 55306.207 + 324.18 = 55630.226
850: 55806.305 + 286.466 = 56092.771
851: 55705.144 + 288.649 = 55993.793
852: 55355.327 + 322.614 = 55677.942
853: 55035.476 + 380.699 = 55416.175
854: 55986.799 + 265.779 = 56252.578
855: 54231.724 + 370.380 = 54602.105
856: 55597.925 + 467.804 = 56065.730
857: 55416.385 + 334.619 = 55751.05
858: 55528.868 + 317.95 = 55845.964
859: 55676.501 + 400.378 = 56076.879
860: 55532.20 + 325.110 = 55857.131
861: 55309.336 + 342.296 = 55651.633
862: 55953.475 + 296.695 = 56250.170
863: 54212.289 + 392.443 = 54604.733
864: 55063.434 + 519.634 = 55583.68
865: 54895.538 + 363.325 = 55258.864
866: 54943.465 + 349.651 = 55293.117
867: 55221.393 + 415.168 = 55636.561
868: 54739.543 + 597.360 = 55336.904
869: 54613.135 + 374.657 = 54987.792
870: 55421.452 + 401.438 = 55822.890
871: 53788.414 + 417.417 = 54205.831
872: 55193.879 + 506.285 = 55700.164
873: 54730.205 + 365.98 = 55095.304
874: 55092.189 + 356.794 = 55448.983
875: 55107.523 + 441.722 = 55549.245
876: 54777.686 + 593.882 = 55371.569
877: 54672.141 + 368.414 = 55040.556
878: 55393.183 + 352.735 = 55745.919
879: 53990.581 + 398.33 = 54388.615
880: 55307.842 + 489.848 = 55797.690
881: 55014.157 + 349.103 = 55363.260
882: 55178.470 + 322.476 = 55500.947
883: 55501.152 + 368.211 = 55869.364
884: 55154.789 + 485.567 = 55640.356
885: 54951.654 + 344.724 = 55296.378
886: 55597.701 + 372.551 = 55970.253
887: 54127.562 + 392.929 = 54520.491
888: 55614.972 + 491.299 = 56106.272
889: 55246.261 + 344.251 = 55590.513
890: 55348.366 + 445.840 = 55794.207
891: 55672.673 + 389.639 = 56062.312
892: 55248.344 + 328.582 = 55576.926
893: 55210.848 + 330.762 = 55541.611
894: 55861.811 + 292.887 = 56154.699
895: 54195.228 + 388.50 = 54583.279
896: 55579.506 + 469.200 = 56048.706
897: 55170.952 + 339.377 = 55510.330
898: 55397.880 + 319.149 = 55717.29
899: 55727.684 + 375.316 = 56103.01
900: 55393.109 + 490.808 = 55883.918
901: 55122.749 + 339.918 = 55462.668
902: 55871.426 + 331.722 = 56203.148
903: 54269.564 + 385.856 = 54655.421
904: 55428.319 + 479.586 = 55907.906
905: 55020.316 + 349.302 = 55369.619
906: 55144.00 + 385.871 = 55529.872
907: 55323.835 + 307.912 = 55631.748
908: 54911.835 + 468.188 = 55380.23
909: 54771.68 + 448.771 = 55219.839
910: 55726.893 + 352.466 = 56079.360
911: 54025.858 + 435.292 = 54461.151
912: 55190.253 + 498.103 = 55688.356
913: 54945.880 + 349.30 = 55294.911
914: 55023.523 + 333.122 = 55356.645
915: 55336.105 + 342.339 = 55678.444
916: 54994.862 + 412.772 = 55407.634
917: 54805.694 + 420.963 = 55226.657
918: 55613.505 + 302.791 = 55916.297
919: 53987.952 + 396.759 = 54384.711
920: 55383.370 + 493.310 = 55876.680
921: 55045.281 + 353.779 = 55399.61
922: 55387.28 + 326.794 = 55713.822
923: 55463.778 + 340.829 = 55804.607
924: 55099.815 + 349.319 = 55449.135
925: 54972.593 + 356.54 = 55328.648
926: 55784.574 + 330.843 = 56115.417
927: 54223.730 + 397.839 = 54621.569
928: 55543.530 + 482.245 = 56025.776
929: 55168.681 + 338.244 = 55506.926
930: 55300.841 + 397.570 = 55698.412
931: 55646.33 + 300.889 = 55946.922
932: 55187.461 + 333.917 = 55521.379
933: 55103.799 + 425.90 = 55528.889
934: 55913.788 + 285.657 = 56199.445
935: 54238.129 + 389.33 = 54627.163
936: 55015.160 + 517.399 = 55532.559
937: 54697.153 + 368.825 = 55065.978
938: 54851.386 + 354.56 = 55205.442
939: 55453.170 + 330.495 = 55783.666
940: 54774.186 + 498.220 = 55272.406
941: 54580.123 + 360.516 = 54940.640
942: 55220.947 + 425.819 = 55646.767
943: 53826.14 + 402.791 = 54228.805
944: 55700.750 + 460.317 = 56161.68
945: 55412.436 + 329.158 = 55741.594
946: 55789.90 + 287.68 = 56076.158
947: 55746.519 + 403.419 = 56149.939
948: 55441.336 + 466.765 = 55908.101
949: 55364.457 + 334.51 = 55698.509
950: 55914.21 + 310.796 = 56224.818
951: 54258.468 + 374.850 = 54633.319
952: 55244.767 + 500.54 = 55744.822
953: 54995.685 + 353.257 = 55348.942
954: 55063.224 + 414.720 = 55477.945
955: 55490.293 + 307.427 = 55797.721
956: 54991.310 + 403.32 = 55394.342
957: 54842.523 + 412.235 = 55254.759
958: 55659.416 + 357.57 = 56016.473
959: 53944.824 + 406.60 = 54350.885
960: 55363.639 + 481.710 = 55845.349
961: 55028.283 + 350.335 = 55378.619
962: 55220.585 + 320.363 = 55540.949
963: 55474.56 + 335.331 = 55809.388
964: 54939.618 + 558.656 = 55498.275
965: 54836.965 + 345.559 = 55182.524
966: 55690.950 + 369.593 = 56060.544
967: 54168.650 + 390.174 = 54558.824
968: 55221.616 + 510.100 = 55731.717
969: 54951.196 + 355.845 = 55307.42
970: 54941.124 + 340.863 = 55281.987
971: 55149.726 + 437.359 = 55587.86
972: 54935.330 + 354.498 = 55289.828
973: 54845.871 + 352.398 = 55198.270
974: 55579.496 + 372.131 = 55951.627
975: 53886.862 + 408.735 = 54295.598
976: 55456.677 + 473.542 = 55930.219
977: 55017.906 + 353.676 = 55371.583
978: 55180.13 + 330.556 = 55510.570
979: 55489.730 + 432.283 = 55922.14
980: 55197.152 + 519.161 = 55716.314
981: 55084.877 + 332.216 = 55417.94
982: 55831.501 + 413.212 = 56244.714
983: 53862.16 + 418.220 = 54280.236
984: 55595.435 + 471.762 = 56067.197
985: 55179.737 + 341.256 = 55520.994
986: 55366.262 + 322.616 = 55688.878
987: 55726.834 + 382.930 = 56109.764
988: 55359.830 + 478.119 = 55837.950
989: 55094.781 + 347.403 = 55442.185
990: 55785.316 + 419.244 = 56204.560
991: 54156.660 + 394.518 = 54551.178
992: 55370.483 + 489.119 = 55859.603
993: 54917.985 + 353.936 = 55271.922
994: 55028.417 + 357.287 = 55385.704
995: 55620.262 + 294.867 = 55915.129
996: 55018.237 + 346.852 = 55365.89
997: 54937.829 + 404.91 = 55341.921
998: 55865.566 + 287.982 = 56153.549
999: 54170.558 + 375.142 = 54545.700
1000: 55379.61 + 506.607 = 55885.668
1001: 55058.99 + 362.633 = 55420.732
1002: 55032.794 + 447.301 = 55480.96
1003: 55461.381 + 310.514 = 55771.895
1004: 55117.578 + 345.102 = 55462.681
1005: 54885.169 + 427.640 = 55312.809
1006: 55622.369 + 291.829 = 55914.198
1007: 53968.535 + 437.673 = 54406.208
1008: 55152.574 + 515.251 = 55667.825
1009: 54929.224 + 361.774 = 55290.999
1010: 54961.504 + 344.732 = 55306.237
1011: 55314.774 + 413.217 = 55727.992
1012: 54896.483 + 495.702 = 55392.185
1013: 54730.04 + 365.867 = 55095.871
1014: 55414.896 + 346.892 = 55761.788
1015: 53728.206 + 425.529 = 54153.736
1016: 58244.476 + 172.777 = 58417.253
1017: 57740.05 + 153.689 = 57893.694
1018: 57765.936 + 148.371 = 57914.308
1019: 58055.780 + 138.221 = 58194.01
1020: 57692.691 + 162.914 = 57855.605
1021: 57628.656 + 157.907 = 57786.564
1022: 58230.768 + 120.439 = 58351.208
1023: 56581.240 + 219.191 = 56800.432
1024: 3380.698 + 7087.290 = 10467.989
1025: 3381.412 + 7086.606 = 10468.19
1026: 3323.332 + 7144.660 = 10467.992
1027: 3353.617 + 7114.362 = 10467.980
1028: 3380.273 + 7087.720 = 10467.993
1029: 3368.42 + 7099.925 = 10467.967
1030: 3353.172 + 7114.792 = 10467.964
1031: 3289.579 + 7178.406 = 10467.985
1032: 3346.04 + 7120.675 = 10466.680
1033: 3388.102 + 7078.516 = 10466.619
1034: 3411.456 + 7055.219 = 10466.675
1035: 3322.377 + 7144.268 = 10466.645
1036: 3354.994 + 7111.676 = 10466.671
1037: 3352.216 + 7114.456 = 10466.673
1038: 3340.420 + 7126.240 = 10466.661
1039: 3410.304 + 7056.429 = 10466.734
1040: 3464.284 + 7003.921 = 10468.205
1041: 3323.243 + 7144.916 = 10468.159
1042: 3326.73 + 7142.98 = 10468.172
1043: 3439.774 + 7028.379 = 10468.154
1044: 3391.392 + 7076.766 = 10468.158
1045: 3360.69 + 7108.79 = 10468.148
1046: 3384.22 + 7084.137 = 10468.159
1047: 3325.898 + 7142.358 = 10468.256
1048: 3403.119 + 7063.755 = 10466.874
1049: 3373.212 + 7093.717 = 10466.930
1050: 3554.15 + 6912.861 = 10466.876
1051: 3355.875 + 7110.951 = 10466.826
1052: 3379.164 + 7087.699 = 10466.863
1053: 3506.56 + 6960.824 = 10466.881
1054: 3413.884 + 7052.992 = 10466.876
1055: 3381.847 + 7085.09 = 10466.856
1056: 3396.312 + 7070.246 = 10466.558
1057: 3399.341 + 7067.245 = 10466.587
1058: 3353.461 + 7113.69 = 10466.531
1059: 3350.418 + 7116.190 = 10466.609
1060: 3398.304 + 7068.222 = 10466.526
1061: 3242.679 + 7223.913 = 10466.593
1062: 3345.142 + 7121.396 = 10466.538
1063: 3352.297 + 7114.343 = 10466.641
1064: 3359.686 + 7107.479 = 10467.166
1065: 3403.794 + 7063.444 = 10467.239
1066: 3416.294 + 7050.878 = 10467.172
1067: 3321.17 + 7146.198 = 10467.216
1068: 3352.567 + 7114.606 = 10467.174
1069: 3343.944 + 7123.223 = 10467.167
1070: 3393.977 + 7073.214 = 10467.192
1071: 3346.129 + 7121.65 = 10467.194
1072: 4419.912 + 6047.656 = 10467.568
1073: 4360.406 + 6107.152 = 10467.559
1074: 4335.623 + 6131.943 = 10467.567
1075: 4341.685 + 6125.867 = 10467.552
1076: 4382.84 + 6085.499 = 10467.584
1077: 4346.544 + 6121.30 = 10467.575
1078: 4367.861 + 6099.698 = 10467.559
1079: 4410.578 + 6057.44 = 10467.623
1080: 4315.639 + 6151.244 = 10466.884
1081: 4329.624 + 6137.277 = 10466.902
1082: 4318.517 + 6148.373 = 10466.890
1083: 4325.820 + 6141.72 = 10466.893
1084: 4307.136 + 6159.850 = 10466.987
1085: 4320.792 + 6146.74 = 10466.867
1086: 4333.143 + 6133.730 = 10466.874
1087: 4478.279 + 5988.585 = 10466.864
1088: 3329.755 + 7137.304 = 10467.60
1089: 3390.919 + 7076.166 = 10467.86
1090: 3334.948 + 7132.87 = 10467.36
1091: 3351.288 + 7115.793 = 10467.81
1092: 3355.377 + 7111.697 = 10467.74
1093: 3312.28 + 7155.20 = 10467.49
1094: 3356.141 + 7110.977 = 10467.119
1095: 3306.810 + 7160.299 = 10467.110
1096: 3233.421 + 7234.108 = 10467.530
1097: 3335.690 + 7131.793 = 10467.484
1098: 3355.220 + 7112.289 = 10467.509
1099: 3338.527 + 7128.966 = 10467.494
1100: 3355.762 + 7111.724 = 10467.487
1101: 3348.223 + 7119.343 = 10467.567
1102: 3372.512 + 7094.979 = 10467.492
1103: 3374.627 + 7092.850 = 10467.478
1104: 4356.985 + 6110.99 = 10467.85
1105: 4391.835 + 6075.212 = 10467.47
1106: 4358.35 + 6109.05 = 10467.40
1107: 4320.327 + 6146.723 = 10467.51
1108: 4337.569 + 6129.477 = 10467.46
1109: 4333.898 + 6133.183 = 10467.81
1110: 4367.147 + 6099.903 = 10467.51
1111: 4367.538 + 6099.494 = 10467.33
1112: 4335.31 + 6131.564 = 10466.596
1113: 4336.127 + 6130.387 = 10466.514
1114: 4250.455 + 6216.62 = 10466.517
1115: 4340.954 + 6125.612 = 10466.566
1116: 4276.477 + 6190.53 = 10466.531
1117: 4383.872 + 6082.681 = 10466.553
1118: 4256.730 + 6209.775 = 10466.506
1119: 4407.374 + 6059.160 = 10466.534
1120: 4307.265 + 6158.973 = 10466.238
1121: 4348.575 + 6117.672 = 10466.248
1122: 4351.840 + 6114.427 = 10466.267
1123: 4307.647 + 6158.601 = 10466.249
1124: 4301.502 + 6164.759 = 10466.262
1125: 4309.637 + 6156.619 = 10466.256
1126: 4329.154 + 6137.107 = 10466.262
1127: 4416.81 + 6050.191 = 10466.272
1128: 4315.718 + 6151.195 = 10466.913
1129: 4317.640 + 6149.292 = 10466.932
1130: 4413.751 + 6053.143 = 10466.894
1131: 4340.685 + 6126.195 = 10466.881
1132: 4382.357 + 6084.542 = 10466.899
1133: 4315.779 + 6151.103 = 10466.883
1134: 4305.173 + 6161.731 = 10466.905
1135: 4324.47 + 6142.847 = 10466.894
1136: 4420.630 + 6046.722 = 10467.352
1137: 4383.949 + 6083.382 = 10467.332
1138: 4342.782 + 6124.552 = 10467.335
1139: 4286.178 + 6181.188 = 10467.367
1140: 4352.309 + 6115.142 = 10467.452
1141: 4376.670 + 6090.704 = 10467.374
1142: 4323.600 + 6143.754 = 10467.355
1143: 4376.860 + 6090.517 = 10467.377
1144: 4310.968 + 6156.498 = 10467.466
1145: 4334.562 + 6132.902 = 10467.464
1146: 4336.893 + 6130.614 = 10467.508
1147: 4326.215 + 6141.258 = 10467.473
1148: 4265.18 + 6202.466 = 10467.485
1149: 4318.667 + 6148.767 = 10467.434
1150: 4382.235 + 6085.211 = 10467.446
1151: 4377.609 + 6089.848 = 10467.457
1152: 4303.219 + 6164.467 = 10467.687
1153: 4335.88 + 6132.599 = 10467.687
1154: 4368.148 + 6099.571 = 10467.719
1155: 4356.391 + 6111.302 = 10467.693
1156: 4125.869 + 6341.826 = 10467.696
1157: 4325.881 + 6141.834 = 10467.716
1158: 4288.249 + 6179.465 = 10467.714
1159: 4315.853 + 6151.828 = 10467.681
1160: 4352.420 + 6115.243 = 10467.663
1161: 4322.746 + 6144.930 = 10467.677
1162: 4367.584 + 6100.81 = 10467.666
1163: 4349.31 + 6118.669 = 10467.700
1164: 4303.522 + 6164.168 = 10467.690
1165: 4326.855 + 6140.835 = 10467.691
1166: 4402.576 + 6065.176 = 10467.753
1167: 4341.464 + 6126.247 = 10467.712
1168: 4345.45 + 6122.96 = 10467.142
1169: 4315.15 + 6152.115 = 10467.130
1170: 4324.143 + 6143.07 = 10467.151
1171: 4454.227 + 6012.922 = 10467.149
1172: 4293.221 + 6173.924 = 10467.145
1173: 4399.135 + 6068.00 = 10467.136
1174: 4313.829 + 6153.317 = 10467.146
1175: 4352.692 + 6114.533 = 10467.225
1176: 4326.847 + 6140.550 = 10467.398
1177: 4319.310 + 6148.88 = 10467.399
1178: 4353.259 + 6114.278 = 10467.538
1179: 4394.558 + 6072.850 = 10467.408
1180: 4312.92 + 6155.305 = 10467.398
1181: 4349.738 + 6117.701 = 10467.439
1182: 4340.645 + 6126.776 = 10467.421
1183: 4410.16 + 6057.361 = 10467.378
1184: 4397.473 + 6070.574 = 10468.47
1185: 4377.349 + 6090.690 = 10468.40
1186: 4384.398 + 6083.642 = 10468.40
1187: 4353.32 + 6114.996 = 10468.29
1188: 4398.150 + 6069.869 = 10468.20
1189: 4380.275 + 6087.767 = 10468.43
1190: 4362.266 + 6105.777 = 10468.43
1191: 4358.661 + 6109.381 = 10468.42
1192: 4332.902 + 6135.163 = 10468.66
1193: 4396.01 + 6072.93 = 10468.95
1194: 4361.158 + 6106.878 = 10468.37
1195: 4326.988 + 6141.45 = 10468.33
1196: 4340.346 + 6127.715 = 10468.61
1197: 4329.870 + 6138.180 = 10468.50
1198: 4294.988 + 6173.76 = 10468.65
1199: 4345.791 + 6122.274 = 10468.65
1200: 4380.788 + 6086.790 = 10467.579
1201: 4347.409 + 6120.167 = 10467.577
1202: 4326.647 + 6140.943 = 10467.591
1203: 4338.191 + 6129.394 = 10467.586
1204: 4349.511 + 6118.48 = 10467.560
1205: 4343.637 + 6123.933 = 10467.570
1206: 4422.996 + 6044.616 = 10467.612
1207: 4428.943 + 6038.647 = 10467.591
1208: 4434.666 + 6032.630 = 10467.296
1209: 4367.73 + 6100.241 = 10467.314
1210: 4318.517 + 6148.794 = 10467.312
1211: 4325.165 + 6142.121 = 10467.287
1212: 4308.875 + 6158.415 = 10467.291
1213: 4399.676 + 6067.581 = 10467.258
1214: 4314.763 + 6152.554 = 10467.317
1215: 4376.818 + 6090.462 = 10467.281
1216: 4330.359 + 6136.263 = 10466.622
1217: 4342.710 + 6123.929 = 10466.639
1218: 4381.887 + 6084.743 = 10466.630
1219: 4340.799 + 6125.854 = 10466.653
1220: 4363.456 + 6103.300 = 10466.756
1221: 4339.643 + 6126.982 = 10466.626
1222: 4387.172 + 6079.470 = 10466.642
1223: 4400.81 + 6066.540 = 10466.621
1224: 4287.220 + 6180.302 = 10467.522
1225: 4325.446 + 6142.56 = 10467.502
1226: 4350.967 + 6116.610 = 10467.578
1227: 4294.814 + 6172.789 = 10467.603
1228: 4286.531 + 6180.987 = 10467.519
1229: 4339.989 + 6127.501 = 10467.490
1230: 4405.745 + 6061.793 = 10467.539
1231: 4417.425 + 6050.58 = 10467.484
1232: 4354.170 + 6113.691 = 10467.862
1233: 4377.333 + 6090.526 = 10467.859
1234: 4365.362 + 6102.486 = 10467.849
1235: 4367.734 + 6100.107 = 10467.841
1236: 4385.792 + 6082.61 = 10467.853
1237: 4375.106 + 6092.755 = 10467.861
1238: 4352.879 + 6115.82 = 10467.961
1239: 4375.299 + 6092.575 = 10467.875
1240: 4327.787 + 6139.979 = 10467.766
1241: 4341.930 + 6125.845 = 10467.776
1242: 4299.493 + 6168.323 = 10467.817
1243: 4310.349 + 6157.430 = 10467.780
1244: 4294.134 + 6173.641 = 10467.776
1245: 4366.550 + 6101.247 = 10467.798
1246: 4425.838 + 6041.962 = 10467.800
1247: 4357.45 + 6110.708 = 10467.754
1248: 4311.354 + 6156.495 = 10467.849
1249: 4339.570 + 6128.268 = 10467.838
1250: 4340.495 + 6127.332 = 10467.828
1251: 4377.493 + 6090.359 = 10467.853
1252: 4400.621 + 6067.233 = 10467.854
1253: 4340.885 + 6126.948 = 10467.833
1254: 4377.83 + 6090.769 = 10467.853
1255: 4366.728 + 6101.214 = 10467.942
1256: 4307.810 + 6160.354 = 10468.165
1257: 4343.700 + 6124.478 = 10468.178
1258: 4310.814 + 6157.347 = 10468.161
1259: 4313.962 + 6154.200 = 10468.162
1260: 4347.31 + 6121.113 = 10468.144
1261: 4329.62 + 6139.142 = 10468.205
1262: 4332.822 + 6135.389 = 10468.211
1263: 4326.19 + 6142.254 = 10468.273
1264: 4320.457 + 6147.196 = 10467.653
1265: 4359.94 + 6108.519 = 10467.613
1266: 4326.399 + 6141.197 = 10467.597
1267: 4324.38 + 6143.559 = 10467.597
1268: 4330.349 + 6137.238 = 10467.587
1269: 4434.210 + 6033.395 = 10467.606
1270: 4340.922 + 6126.725 = 10467.648
1271: 4417.424 + 6050.209 = 10467.634
1272: 4258.763 + 6209.471 = 10468.235
1273: 4183.797 + 6284.389 = 10468.186
1274: 4316.462 + 6151.747 = 10468.209
1275: 4339.141 + 6129.99 = 10468.241
1276: 4301.751 + 6166.438 = 10468.189
1277: 4312.895 + 6155.283 = 10468.179
1278: 4356.385 + 6111.803 = 10468.188
1279: 4334.524 + 6133.655 = 10468.179
1280: 4310.367 + 6157.154 = 10467.522
1281: 4413.234 + 6054.272 = 10467.506
1282: 4330.538 + 6137.08 = 10467.546
1283: 4363.396 + 6104.121 = 10467.518
1284: 4338.188 + 6129.321 = 10467.510
1285: 4330.492 + 6137.33 = 10467.526
1286: 4349.926 + 6117.700 = 10467.627
1287: 4341.713 + 6125.805 = 10467.518
1288: 4269.00 + 6198.994 = 10467.994
1289: 4346.931 + 6121.82 = 10468.14
1290: 4319.736 + 6148.237 = 10467.973
1291: 4329.648 + 6138.333 = 10467.982
1292: 4325.472 + 6142.526 = 10467.999
1293: 4374.194 + 6093.773 = 10467.967
1294: 4296.315 + 6171.684 = 10468.00
1295: 4379.242 + 6088.738 = 10467.980
1296: 4316.231 + 6151.125 = 10467.356
1297: 4361.820 + 6105.502 = 10467.322
1298: 4306.969 + 6160.372 = 10467.342
1299: 4310.961 + 6156.380 = 10467.341
1300: 4307.109 + 6160.216 = 10467.326
1301: 4323.580 + 6143.775 = 10467.355
1302: 4360.530 + 6106.816 = 10467.346
1303: 4391.451 + 6075.878 = 10467.330
1304: 4343.929 + 6124.240 = 10468.169
1305: 4339.568 + 6128.630 = 10468.198
1306: 4312.390 + 6155.790 = 10468.181
1307: 4353.423 + 6114.752 = 10468.175
1308: 4345.557 + 6122.657 = 10468.215
1309: 4370.896 + 6097.302 = 10468.198
1310: 4367.55 + 6101.128 = 10468.184
1311: 4333.247 + 6134.942 = 10468.190
1312: 4303.169 + 6164.155 = 10467.324
1313: 4325.369 + 6141.880 = 10467.249
1314: 4326.162 + 6141.145 = 10467.308
1315: 4310.225 + 6157.40 = 10467.265
1316: 4316.799 + 6150.474 = 10467.273
1317: 4307.957 + 6159.286 = 10467.243
1318: 4348.811 + 6118.454 = 10467.265
1319: 4348.968 + 6118.313 = 10467.282
1320: 4388.741 + 6079.383 = 10468.125
1321: 4304.614 + 6163.519 = 10468.133
1322: 4302.357 + 6165.768 = 10468.126
1323: 4339.273 + 6128.881 = 10468.155
1324: 4292.459 + 6175.671 = 10468.130
1325: 4368.471 + 6099.644 = 10468.115
1326: 4334.31 + 6134.135 = 10468.166
1327: 4359.105 + 6109.51 = 10468.157
1328: 4343.546 + 6124.639 = 10468.185
1329: 4385.387 + 6082.817 = 10468.204
1330: 4337.184 + 6130.995 = 10468.179
1331: 4328.175 + 6140.08 = 10468.183
1332: 4330.18 + 6138.192 = 10468.210
1333: 4331.802 + 6136.397 = 10468.200
1334: 4335.18 + 6133.191 = 10468.209
1335: 4373.304 + 6094.873 = 10468.178
1336: 4398.172 + 6069.323 = 10467.496
1337: 4305.414 + 6162.90 = 10467.504
1338: 4336.492 + 6131.08 = 10467.500
1339: 4336.549 + 6130.950 = 10467.500
1340: 4336.494 + 6131.90 = 10467.585
1341: 4350.174 + 6117.345 = 10467.519
1342: 4324.468 + 6142.999 = 10467.468
1343: 4334.14 + 6133.498 = 10467.512
1344: 4360.257 + 6107.132 = 10467.389
1345: 4348.324 + 6119.98 = 10467.422
1346: 4360.541 + 6106.813 = 10467.354
1347: 4274.742 + 6192.623 = 10467.365
1348: 4336.765 + 6130.617 = 10467.382
1349: 4359.805 + 6107.563 = 10467.368
1350: 4330.09 + 6137.411 = 10467.420
1351: 4332.289 + 6135.231 = 10467.521
1352: 4363.335 + 6104.361 = 10467.697
1353: 4361.455 + 6106.258 = 10467.713
1354: 4402.267 + 6065.427 = 10467.695
1355: 4291.945 + 6175.799 = 10467.744
1356: 4353.10 + 6114.694 = 10467.704
1357: 4317.688 + 6150.54 = 10467.742
1358: 4417.187 + 6050.509 = 10467.696
1359: 4360.515 + 6107.235 = 10467.750
1360: 4365.932 + 6101.212 = 10467.144
1361: 4335.579 + 6131.604 = 10467.183
1362: 4324.641 + 6142.522 = 10467.164
1363: 4350.745 + 6116.425 = 10467.171
1364: 4312.892 + 6154.281 = 10467.173
1365: 4469.579 + 5997.603 = 10467.183
1366: 4315.151 + 6152.33 = 10467.184
1367: 4354.191 + 6113.61 = 10467.252
1368: 4305.419 + 6162.643 = 10468.63
1369: 4299.895 + 6168.133 = 10468.29
1370: 4368.465 + 6099.562 = 10468.28
1371: 4319.934 + 6148.88 = 10468.23
1372: 4324.129 + 6143.887 = 10468.17
1373: 4331.115 + 6136.903 = 10468.19
1374: 4320.922 + 6147.109 = 10468.32
1375: 4373.713 + 6094.348 = 10468.61
1376: 4398.738 + 6069.301 = 10468.39
1377: 4359.66 + 6108.970 = 10468.37
1378: 4327.250 + 6140.779 = 10468.30
1379: 4362.540 + 6105.507 = 10468.48
1380: 4319.933 + 6148.106 = 10468.40
1381: 4342.202 + 6125.843 = 10468.45
1382: 4330.48 + 6138.02 = 10468.51
1383: 4279.741 + 6188.284 = 10468.25
1384: 4346.101 + 6120.849 = 10466.951
1385: 4376.865 + 6090.97 = 10466.963
1386: 4318.370 + 6148.595 = 10466.966
1387: 4332.916 + 6134.52 = 10466.968
1388: 4364.477 + 6102.477 = 10466.955
1389: 4323.315 + 6143.637 = 10466.952
1390: 4348.151 + 6118.813 = 10466.964
1391: 4407.740 + 6059.342 = 10467.83
1392: 4295.361 + 6171.697 = 10467.59
1393: 4323.713 + 6143.331 = 10467.44
1394: 4372.116 + 6095.04 = 10467.120
1395: 4363.740 + 6103.285 = 10467.26
1396: 4399.255 + 6067.796 = 10467.51
1397: 4326.918 + 6140.106 = 10467.24
1398: 4385.552 + 6081.478 = 10467.30
1399: 4356.931 + 6110.111 = 10467.43
1400: 4421.18 + 6045.907 = 10466.926
1401: 4398.284 + 6068.664 = 10466.948
1402: 4427.225 + 6039.691 = 10466.917
1403: 4292.308 + 6174.645 = 10466.953
1404: 4345.320 + 6121.575 = 10466.896
1405: 4365.624 + 6101.292 = 10466.916
1406: 4335.513 + 6131.419 = 10466.933
1407: 4423.915 + 6043.13 = 10466.928
1408: 4397.285 + 6070.07 = 10467.293
1409: 4363.701 + 6103.645 = 10467.346
1410: 4325.786 + 6141.485 = 10467.272
1411: 4322.729 + 6144.536 = 10467.266
1412: 4305.630 + 6161.652 = 10467.282
1413: 4319.599 + 6147.679 = 10467.279
1414: 4327.71 + 6140.221 = 10467.292
1415: 4359.726 + 6107.534 = 10467.261
1416: 4373.526 + 6093.628 = 10467.154
1417: 4334.529 + 6132.502 = 10467.32
1418: 4297.618 + 6169.415 = 10467.33
1419: 4382.210 + 6084.814 = 10467.24
1420: 4323.662 + 6143.374 = 10467.36
1421: 4338.938 + 6128.101 = 10467.39
1422: 4352.491 + 6114.562 = 10467.53
1423: 4351.369 + 6115.687 = 10467.56
1424: 4324.254 + 6143.391 = 10467.645
1425: 4343.471 + 6124.202 = 10467.673
1426: 4330.169 + 6137.505 = 10467.674
1427: 4351.750 + 6115.888 = 10467.638
1428: 4371.985 + 6095.687 = 10467.673
1429: 4302.590 + 6165.73 = 10467.664
1430: 4369.627 + 6098.15 = 10467.643
1431: 4355.250 + 6112.438 = 10467.688
1432: 4319.396 + 6148.212 = 10467.608
1433: 4338.284 + 6129.327 = 10467.612
1434: 4348.36 + 6119.568 = 10467.604
1435: 4345.464 + 6122.162 = 10467.626
1436: 4429.105 + 6038.532 = 10467.637
1437: 4335.795 + 6131.859 = 10467.654
1438: 4366.489 + 6101.138 = 10467.627
1439: 4404.907 + 6062.698 = 10467.605
1440: 4444.970 + 6022.299 = 10467.270
1441: 4418.768 + 6048.551 = 10467.319
1442: 4384.227 + 6083.61 = 10467.288
1443: 4463.52 + 6004.260 = 10467.313
1444: 4403.430 + 6063.912 = 10467.342
1445: 4417.474 + 6049.812 = 10467.286
1446: 4389.264 + 6078.42 = 10467.307
1447: 4397.651 + 6069.747 = 10467.398
1448: 4322.221 + 6145.570 = 10467.791
1449: 4328.533 + 6139.252 = 10467.785
1450: 4325.399 + 6142.386 = 10467.786
1451: 4247.893 + 6219.907 = 10467.801
1452: 4462.294 + 6005.508 = 10467.802
1453: 4395.841 + 6071.955 = 10467.796
1454: 4365.622 + 6102.172 = 10467.794
1455: 4242.980 + 6224.817 = 10467.798
1456: 4288.320 + 6178.873 = 10467.193
1457: 4326.691 + 6140.513 = 10467.205
1458: 4407.897 + 6059.377 = 10467.275
1459: 4372.232 + 6094.959 = 10467.192
1460: 4314.102 + 6153.78 = 10467.180
1461: 4335.563 + 6131.610 = 10467.174
1462: 4288.312 + 6178.871 = 10467.183
1463: 4323.475 + 6143.745 = 10467.221
1464: 4402.195 + 6065.82 = 10467.277
1465: 4297.970 + 6169.325 = 10467.296
1466: 4330.466 + 6136.809 = 10467.276
1467: 4334.989 + 6132.320 = 10467.309
1468: 4323.271 + 6144.31 = 10467.302
1469: 4321.911 + 6145.358 = 10467.269
1470: 4318.427 + 6148.860 = 10467.287
1471: 4398.684 + 6068.605 = 10467.289
1472: 4374.910 + 6091.308 = 10466.219
1473: 4355.479 + 6110.760 = 10466.239
1474: 4290.425 + 6175.832 = 10466.258
1475: 4312.301 + 6153.890 = 10466.192
1476: 4340.260 + 6125.949 = 10466.210
1477: 4335.472 + 6130.743 = 10466.216
1478: 4344.292 + 6121.929 = 10466.221
1479: 4354.702 + 6111.524 = 10466.226
1480: 4359.321 + 6107.837 = 10467.158
1481: 4373.41 + 6093.984 = 10467.25
1482: 4356.308 + 6110.724 = 10467.33
1483: 4286.411 + 6180.716 = 10467.127
1484: 4331.937 + 6135.126 = 10467.64
1485: 4334.574 + 6132.456 = 10467.30
1486: 4350.817 + 6116.234 = 10467.51
1487: 4363.28 + 6104.44 = 10467.73
1488: 4342.251 + 6124.494 = 10466.745
1489: 4305.450 + 6161.320 = 10466.771
1490: 4320.01 + 6146.770 = 10466.772
1491: 4327.305 + 6139.508 = 10466.813
1492: 4322.276 + 6144.479 = 10466.756
1493: 4398.741 + 6068.26 = 10466.767
1494: 4338.910 + 6127.849 = 10466.759
1495: 4335.229 + 6131.539 = 10466.768
1496: 4329.610 + 6136.816 = 10466.427
1497: 4350.131 + 6116.267 = 10466.398
1498: 4368.04 + 6098.457 = 10466.461
1499: 4313.844 + 6152.585 = 10466.429
1500: 4352.477 + 6113.953 = 10466.430
1501: 4318.166 + 6148.243 = 10466.409
1502: 4321.741 + 6144.650 = 10466.392
1503: 4385.338 + 6081.79 = 10466.418
1504: 4339.885 + 6127.92 = 10466.978
1505: 4299.261 + 6167.712 = 10466.973
1506: 4322.200 + 6144.805 = 10467.05
1507: 4380.365 + 6086.736 = 10467.101
1508: 4331.655 + 6135.302 = 10466.958
1509: 4307.460 + 6159.517 = 10466.978
1510: 4395.513 + 6071.494 = 10467.08
1511: 4389.866 + 6077.143 = 10467.10
1512: 4339.555 + 6127.973 = 10467.529
1513: 4297.407 + 6170.101 = 10467.509
1514: 4342.93 + 6125.426 = 10467.520
1515: 4341.625 + 6125.907 = 10467.532
1516: 4322.713 + 6144.812 = 10467.525
1517: 4327.36 + 6140.499 = 10467.535
1518: 4393.175 + 6074.364 = 10467.540
1519: 4376.382 + 6091.154 = 10467.537
1520: 4351.483 + 6116.781 = 10468.265
1521: 4320.290 + 6147.976 = 10468.267
1522: 4274.759 + 6193.543 = 10468.302
1523: 4325.647 + 6142.620 = 10468.267
1524: 4313.346 + 6155.17 = 10468.363
1525: 4327.321 + 6141.50 = 10468.371
1526: 4406.430 + 6061.815 = 10468.246
1527: 4343.862 + 6124.429 = 10468.291
1528: 4370.386 + 6097.317 = 10467.704
1529: 4319.909 + 6147.794 = 10467.703
1530: 4392.423 + 6075.284 = 10467.708
1531: 4370.672 + 6097.78 = 10467.750
1532: 4353.511 + 6114.199 = 10467.710
1533: 4342.453 + 6125.275 = 10467.728
1534: 4328.57 + 6139.660 = 10467.718
1535: 4359.881 + 6107.812 = 10467.693
1536: 4291.657 + 6176.69 = 10467.726
1537: 4322.658 + 6145.72 = 10467.731
1538: 4312.627 + 6155.74 = 10467.702
1539: 4348.240 + 6119.457 = 10467.698
1540: 4309.200 + 6158.504 = 10467.704
1541: 4317.653 + 6150.49 = 10467.702
1542: 4328.946 + 6138.948 = 10467.895
1543: 4301.212 + 6166.521 = 10467.733
1544: 4349.612 + 6118.87 = 10467.699
1545: 4342.623 + 6125.68 = 10467.691
1546: 4304.926 + 6162.784 = 10467.711
1547: 4338.773 + 6128.965 = 10467.738
1548: 4305.351 + 6162.368 = 10467.719
1549: 4379.362 + 6088.339 = 10467.701
1550: 4346.93 + 6121.631 = 10467.725
1551: 4336.541 + 6131.181 = 10467.723
1552: 4316.827 + 6150.387 = 10467.215
1553: 4403.522 + 6063.688 = 10467.210
1554: 4357.902 + 6109.313 = 10467.215
1555: 4325.863 + 6141.332 = 10467.196
1556: 4358.461 + 6108.741 = 10467.203
1557: 4346.675 + 6120.540 = 10467.216
1558: 4314.834 + 6152.406 = 10467.241
1559: 4340.178 + 6127.35 = 10467.213
1560: 4325.717 + 6141.481 = 10467.199
1561: 4352.103 + 6115.175 = 10467.279
1562: 4366.572 + 6100.642 = 10467.215
1563: 4356.588 + 6110.624 = 10467.212
1564: 4320.81 + 6147.135 = 10467.216
1565: 4335.677 + 6131.541 = 10467.219
1566: 4308.706 + 6158.489 = 10467.196
1567: 4329.764 + 6137.458 = 10467.223
1568: 4357.633 + 6109.414 = 10467.47
1569: 4377.425 + 6089.606 = 10467.32
1570: 4339.941 + 6127.76 = 10467.17
1571: 4362.562 + 6104.498 = 10467.61
1572: 4349.468 + 6117.566 = 10467.35
1573: 4383.759 + 6083.286 = 10467.46
1574: 4242.79 + 6225.19 = 10467.99
1575: 4368.25 + 6099.06 = 10467.32
1576: 4354.663 + 6112.961 = 10467.625
1577: 4357.318 + 6110.293 = 10467.612
1578: 4358.60 + 6109.533 = 10467.594
1579: 4373.436 + 6094.212 = 10467.649
1580: 4413.780 + 6053.873 = 10467.653
1581: 4352.70 + 6115.520 = 10467.590
1582: 4372.361 + 6095.245 = 10467.607
1583: 4485.645 + 5981.971 = 10467.617
1584: 4275.949 + 6191.479 = 10467.428
1585: 4356.878 + 6110.562 = 10467.441
1586: 4325.49 + 6142.355 = 10467.405
1587: 4340.711 + 6126.709 = 10467.420
1588: 4351.866 + 6115.551 = 10467.418
1589: 4331.755 + 6135.654 = 10467.409
1590: 4250.140 + 6217.268 = 10467.408
1591: 4340.701 + 6126.795 = 10467.496
1592: 4330.914 + 6136.298 = 10467.212
1593: 4332.621 + 6134.596 = 10467.218
1594: 4332.521 + 6134.689 = 10467.211
1595: 4349.824 + 6117.415 = 10467.239
1596: 4305.350 + 6161.849 = 10467.199
1597: 4323.721 + 6143.544 = 10467.266
1598: 4365.378 + 6101.816 = 10467.194
1599: 4355.570 + 6111.633 = 10467.203
1600: 4326.40 + 6141.111 = 10467.152
1601: 4486.617 + 5980.529 = 10467.146
1602: 4316.381 + 6150.776 = 10467.158
1603: 4332.844 + 6134.315 = 10467.159
1604: 4455.927 + 6011.208 = 10467.135
1605: 4345.00 + 6122.151 = 10467.151
1606: 4235.321 + 6231.852 = 10467.173
1607: 4338.601 + 6128.617 = 10467.218
1608: 4436.172 + 6030.671 = 10466.843
1609: 4338.322 + 6128.563 = 10466.885
1610: 4322.510 + 6144.320 = 10466.831
1611: 4326.99 + 6140.730 = 10466.829
1612: 4340.616 + 6126.204 = 10466.820
1613: 4227.09 + 6239.826 = 10466.836
1614: 4342.855 + 6123.959 = 10466.814
1615: 4378.599 + 6088.279 = 10466.879
1616: 4322.971 + 6143.961 = 10466.932
1617: 4346.291 + 6120.633 = 10466.924
1618: 4337.255 + 6129.687 = 10466.942
1619: 4340.877 + 6126.75 = 10466.953
1620: 4380.189 + 6086.753 = 10466.943
1621: 4441.175 + 6025.754 = 10466.930
1622: 4352.336 + 6114.608 = 10466.944
1623: 4327.62 + 6139.939 = 10467.01
1624: 4289.405 + 6177.520 = 10466.925
1625: 4298.582 + 6168.299 = 10466.882
1626: 4326.708 + 6140.171 = 10466.880
1627: 4357.544 + 6109.368 = 10466.913
1628: 4275.513 + 6191.419 = 10466.933
1629: 4295.353 + 6171.575 = 10466.929
1630: 4416.495 + 6050.448 = 10466.944
1631: 4310.876 + 6156.32 = 10466.908
1632: 4329.356 + 6137.997 = 10467.354
1633: 4320.582 + 6146.754 = 10467.336
1634: 4360.118 + 6107.221 = 10467.339
1635: 4349.361 + 6118.01 = 10467.362
1636: 4338.401 + 6128.925 = 10467.326
1637: 4328.779 + 6138.576 = 10467.355
1638: 4314.654 + 6152.749 = 10467.403
1639: 4380.01 + 6087.360 = 10467.361
1640: 4335.517 + 6131.745 = 10467.263
1641: 4315.69 + 6152.141 = 10467.211
1642: 4407.499 + 6059.741 = 10467.240
1643: 4358.674 + 6108.555 = 10467.230
1644: 4417.648 + 6049.587 = 10467.235
1645: 4343.955 + 6123.282 = 10467.237
1646: 4354.11 + 6113.336 = 10467.347
1647: 4348.62 + 6119.175 = 10467.237
1648: 4340.198 + 6127.510 = 10467.709
1649: 4349.881 + 6117.813 = 10467.694
1650: 4349.367 + 6118.376 = 10467.743
1651: 4292.829 + 6174.880 = 10467.710
1652: 4296.572 + 6171.120 = 10467.692
1653: 4349.666 + 6118.50 = 10467.717
1654: 4335.778 + 6131.927 = 10467.706
1655: 4312.403 + 6155.282 = 10467.685
1656: 4342.290 + 6124.408 = 10466.698
1657: 4293.07 + 6173.671 = 10466.678
1658: 4148.475 + 6318.220 = 10466.696
1659: 4333.778 + 6132.919 = 10466.697
1660: 4542.268 + 5924.390 = 10466.658
1661: 4329.831 + 6136.850 = 10466.682
1662: 4358.265 + 6108.452 = 10466.718
1663: 4322.271 + 6144.404 = 10466.675
1664: 4315.201 + 6151.909 = 10467.110
1665: 4318.607 + 6148.527 = 10467.134
1666: 4316.765 + 6150.354 = 10467.120
1667: 4396.898 + 6070.291 = 10467.190
1668: 4343.269 + 6123.848 = 10467.117
1669: 4381.49 + 6086.51 = 10467.100
1670: 4364.622 + 6102.497 = 10467.119
1671: 4396.472 + 6070.639 = 10467.111
1672: 4383.860 + 6083.89 = 10466.950
1673: 4280.82 + 6186.953 = 10467.35
1674: 4325.912 + 6141.50 = 10466.963
1675: 4319.560 + 6147.384 = 10466.945
1676: 4395.370 + 6071.563 = 10466.933
1677: 4353.490 + 6113.438 = 10466.928
1678: 4320.322 + 6146.676 = 10466.998
1679: 4324.999 + 6141.945 = 10466.944
1680: 4332.884 + 6135.16 = 10467.901
1681: 4323.97 + 6144.812 = 10467.910
1682: 4340.00 + 6127.902 = 10467.903
1683: 4369.237 + 6098.635 = 10467.873
1684: 4380.802 + 6087.97 = 10467.899
1685: 4317.776 + 6150.114 = 10467.891
1686: 4392.783 + 6075.101 = 10467.884
1687: 4363.961 + 6103.956 = 10467.918
1688: 4387.380 + 6079.585 = 10466.965
1689: 4337.386 + 6129.569 = 10466.955
1690: 4313.832 + 6153.132 = 10466.965
1691: 4328.932 + 6138.69 = 10467.01
1692: 4333.123 + 6133.871 = 10466.994
1693: 4340.461 + 6126.516 = 10466.978
1694: 4318.608 + 6148.371 = 10466.979
1695: 4319.333 + 6147.684 = 10467.18
1696: 4321.605 + 6145.756 = 10467.362
1697: 4310.27 + 6157.309 = 10467.337
1698: 4358.500 + 6108.812 = 10467.312
1699: 4361.463 + 6105.838 = 10467.302
1700: 4352.566 + 6114.752 = 10467.318
1701: 4374.423 + 6092.871 = 10467.295
1702: 4340.682 + 6126.640 = 10467.323
1703: 4313.870 + 6153.434 = 10467.305
1704: 4322.993 + 6144.32 = 10467.25
1705: 4331.29 + 6135.947 = 10466.976
1706: 4345.848 + 6121.120 = 10466.968
1707: 4324.647 + 6142.367 = 10467.15
1708: 4324.365 + 6142.597 = 10466.963
1709: 4340.508 + 6126.582 = 10467.91
1710: 4330.908 + 6136.94 = 10467.02
1711: 4358.882 + 6108.113 = 10466.995
1712: 4369.81 + 6097.668 = 10466.749
1713: 4366.785 + 6099.937 = 10466.723
1714: 4335.246 + 6131.596 = 10466.843
1715: 4351.457 + 6115.294 = 10466.751
1716: 4305.363 + 6161.393 = 10466.757
1717: 4338.515 + 6128.214 = 10466.729
1718: 4340.886 + 6125.880 = 10466.766
1719: 4325.383 + 6141.363 = 10466.747
1720: 4334.517 + 6133.439 = 10467.957
1721: 4314.162 + 6153.827 = 10467.990
1722: 4328.678 + 6139.273 = 10467.952
1723: 4315.258 + 6152.733 = 10467.992
1724: 4316.272 + 6151.671 = 10467.943
1725: 4312.999 + 6155.52 = 10468.52
1726: 4338.90 + 6129.856 = 10467.946
1727: 4316.773 + 6151.167 = 10467.941
1728: 4407.526 + 6060.330 = 10467.857
1729: 4327.449 + 6140.383 = 10467.833
1730: 4348.537 + 6119.300 = 10467.838
1731: 4366.640 + 6101.211 = 10467.851
1732: 4414.368 + 6053.446 = 10467.815
1733: 4258.468 + 6209.410 = 10467.879
1734: 4383.271 + 6084.610 = 10467.881
1735: 4317.252 + 6150.585 = 10467.838
1736: 4322.730 + 6143.948 = 10466.679
1737: 4357.662 + 6109.41 = 10466.704
1738: 4362.357 + 6104.359 = 10466.716
1739: 4384.448 + 6082.235 = 10466.683
1740: 4358.944 + 6107.734 = 10466.678
1741: 4344.319 + 6122.353 = 10466.672
1742: 4365.942 + 6100.750 = 10466.693
1743: 4297.11 + 6169.691 = 10466.702
1744: 4311.246 + 6155.764 = 10467.10
1745: 4348.923 + 6118.90 = 10467.14
1746: 4326.432 + 6140.633 = 10467.65
1747: 4351.898 + 6115.123 = 10467.21
1748: 4412.394 + 6054.614 = 10467.09
1749: 4326.817 + 6140.214 = 10467.31
1750: 4306.620 + 6160.508 = 10467.129
1751: 4346.864 + 6120.162 = 10467.27
1752: 4307.450 + 6159.625 = 10467.76
1753: 4314.676 + 6152.381 = 10467.57
1754: 4302.264 + 6164.907 = 10467.172
1755: 4338.165 + 6128.882 = 10467.47
1756: 4324.253 + 6142.801 = 10467.54
1757: 4314.10 + 6153.52 = 10467.63
1758: 4332.761 + 6134.316 = 10467.77
1759: 4359.931 + 6107.116 = 10467.47
1760: 4341.817 + 6125.362 = 10467.180
1761: 4341.241 + 6125.890 = 10467.131
1762: 4327.820 + 6139.272 = 10467.92
1763: 4308.86 + 6159.57 = 10467.144
1764: 4313.62 + 6154.08 = 10467.71
1765: 4372.69 + 6095.06 = 10467.76
1766: 4346.864 + 6120.213 = 10467.77
1767: 4353.775 + 6113.335 = 10467.111
1768: 4343.632 + 6124.100 = 10467.733
1769: 4293.813 + 6173.912 = 10467.726
1770: 4316.817 + 6150.984 = 10467.801
1771: 4315.193 + 6152.543 = 10467.736
1772: 4346.727 + 6120.981 = 10467.709
1773: 4292.623 + 6175.120 = 10467.743
1774: 4327.154 + 6140.583 = 10467.738
1775: 4391.922 + 6075.800 = 10467.723
1776: 4335.303 + 6132.179 = 10467.483
1777: 4331.900 + 6135.592 = 10467.493
1778: 4308.361 + 6159.131 = 10467.493
1779: 4327.133 + 6140.352 = 10467.486
1780: 4354.183 + 6113.292 = 10467.475
1781: 4346.663 + 6120.867 = 10467.531
1782: 4365.436 + 6102.94 = 10467.531
1783: 4370.400 + 6097.71 = 10467.471
1784: 4316.401 + 6150.657 = 10467.59
1785: 4334.562 + 6132.482 = 10467.45
1786: 4350.824 + 6116.230 = 10467.54
1787: 4317.688 + 6149.365 = 10467.53
1788: 4348.187 + 6118.862 = 10467.49
1789: 4319.176 + 6147.872 = 10467.48
1790: 4399.517 + 6067.571 = 10467.88
1791: 4386.108 + 6080.963 = 10467.72
1792: 4337.439 + 6129.794 = 10467.233
1793: 4308.740 + 6158.508 = 10467.248
1794: 4324.668 + 6142.580 = 10467.249
1795: 4312.732 + 6154.490 = 10467.222
1796: 4313.764 + 6153.470 = 10467.235
1797: 4267.894 + 6199.363 = 10467.257
1798: 4350.207 + 6117.95 = 10467.302
1799: 4349.740 + 6117.609 = 10467.350
1800: 4371.392 + 6096.742 = 10468.135
1801: 4336.387 + 6131.752 = 10468.140
1802: 4328.874 + 6139.252 = 10468.127
1803: 4424.916 + 6043.338 = 10468.255
1804: 4353.999 + 6114.146 = 10468.146
1805: 4318.258 + 6149.875 = 10468.133
1806: 4306.413 + 6161.746 = 10468.159
1807: 4412.283 + 6055.876 = 10468.159
1808: 4285.265 + 6182.153 = 10467.419
1809: 4311.893 + 6155.494 = 10467.388
1810: 4256.443 + 6210.929 = 10467.372
1811: 4249.203 + 6218.140 = 10467.343
1812: 4244.855 + 6222.521 = 10467.377
1813: 4228.108 + 6239.261 = 10467.370
1814: 4247.349 + 6220.40 = 10467.390
1815: 4263.835 + 6203.539 = 10467.375
1816: 4336.93 + 6131.107 = 10467.200
1817: 4351.588 + 6115.620 = 10467.208
1818: 4302.866 + 6164.340 = 10467.207
1819: 4345.232 + 6121.978 = 10467.210
1820: 4300.247 + 6166.956 = 10467.204
1821: 4336.798 + 6130.411 = 10467.210
1822: 4350.291 + 6116.938 = 10467.229
1823: 4362.728 + 6104.491 = 10467.219
1824: 4386.182 + 6081.360 = 10467.543
1825: 4306.850 + 6160.701 = 10467.551
1826: 4312.394 + 6155.122 = 10467.516
1827: 4318.452 + 6149.75 = 10467.528
1828: 4362.939 + 6104.575 = 10467.515
1829: 4374.521 + 6092.985 = 10467.507
1830: 4326.928 + 6140.684 = 10467.612
1831: 4311.485 + 6156.61 = 10467.547
1832: 4353.761 + 6112.733 = 10466.494
1833: 4414.10 + 6052.495 = 10466.506
1834: 4402.213 + 6064.333 = 10466.547
1835: 4371.457 + 6095.53 = 10466.511
1836: 4339.649 + 6126.898 = 10466.547
1837: 4327.344 + 6139.163 = 10466.508
1838: 4345.525 + 6120.998 = 10466.524
1839: 4335.972 + 6130.519 = 10466.492
1840: 4300.80 + 6166.908 = 10466.989
1841: 4364.912 + 6102.111 = 10467.23
1842: 4392.933 + 6074.67 = 10467.01
1843: 4298.808 + 6168.211 = 10467.19
1844: 4319.397 + 6147.613 = 10467.11
1845: 4380.311 + 6086.686 = 10466.997
1846: 4343.756 + 6123.344 = 10467.100
1847: 4313.35 + 6153.968 = 10467.03
1848: 4295.315 + 6172.495 = 10467.811
1849: 4349.616 + 6118.117 = 10467.734
1850: 4329.562 + 6138.197 = 10467.759
1851: 4322.47 + 6145.691 = 10467.738
1852: 4333.430 + 6134.299 = 10467.730
1853: 4352.03 + 6115.728 = 10467.731
1854: 4318.436 + 6149.412 = 10467.849
1855: 4309.362 + 6158.395 = 10467.757
1856: 4350.279 + 6115.963 = 10466.242
1857: 4376.585 + 6089.666 = 10466.252
1858: 4377.701 + 6088.534 = 10466.235
1859: 4372.800 + 6093.465 = 10466.266
1860: 4418.496 + 6047.756 = 10466.252
1861: 4255.431 + 6210.831 = 10466.263
1862: 4386.451 + 6079.792 = 10466.243
1863: 4374.461 + 6091.794 = 10466.255
1864: 4325.213 + 6142.367 = 10467.580
1865: 4404.736 + 6062.876 = 10467.612
1866: 4326.40 + 6141.542 = 10467.582
1867: 4355.989 + 6111.591 = 10467.581
1868: 4350.569 + 6117.21 = 10467.590
1869: 4328.701 + 6138.898 = 10467.599
1870: 4378.826 + 6088.781 = 10467.607
1871: 4395.46 + 6072.552 = 10467.599
1872: 4317.929 + 6150.21 = 10467.950
1873: 4338.277 + 6129.663 = 10467.940
1874: 4358.692 + 6109.210 = 10467.902
1875: 4293.684 + 6174.210 = 10467.895
1876: 4296.741 + 6171.112 = 10467.853
1877: 4313.862 + 6154.01 = 10467.863
1878: 4310.818 + 6157.50 = 10467.868
1879: 4325.149 + 6142.712 = 10467.861
1880: 4343.707 + 6123.630 = 10467.337
1881: 4365.557 + 6101.762 = 10467.320
1882: 4366.663 + 6100.681 = 10467.344
1883: 4343.913 + 6123.423 = 10467.336
1884: 4330.767 + 6136.562 = 10467.330
1885: 4324.02 + 6143.304 = 10467.306
1886: 4362.671 + 6104.657 = 10467.329
1887: 4342.314 + 6125.12 = 10467.326
1888: 4289.778 + 6178.340 = 10468.119
1889: 4306.348 + 6161.758 = 10468.107
1890: 4287.951 + 6180.149 = 10468.100
1891: 4381.955 + 6086.144 = 10468.100
1892: 4397.237 + 6070.890 = 10468.127
1893: 4313.173 + 6154.925 = 10468.99
1894: 4346.962 + 6121.149 = 10468.112
1895: 4304.338 + 6163.765 = 10468.104
1896: 4318.20 + 6149.538 = 10467.559
1897: 4307.156 + 6160.419 = 10467.575
1898: 4363.528 + 6104.42 = 10467.571
1899: 4324.597 + 6142.991 = 10467.588
1900: 4296.976 + 6170.596 = 10467.572
1901: 4363.487 + 6104.86 = 10467.573
1902: 4318.641 + 6148.953 = 10467.595
1903: 4292.893 + 6174.720 = 10467.613
1904: 4327.135 + 6140.301 = 10467.437
1905: 4337.833 + 6129.571 = 10467.404
1906: 4391.295 + 6076.109 = 10467.405
1907: 4398.511 + 6068.908 = 10467.419
1908: 4413.403 + 6053.992 = 10467.395
1909: 4352.688 + 6114.669 = 10467.358
1910: 4332.970 + 6134.412 = 10467.382
1911: 4330.286 + 6137.76 = 10467.363
1912: 4344.743 + 6123.08 = 10467.751
1913: 4316.872 + 6150.994 = 10467.867
1914: 4351.839 + 6115.915 = 10467.754
1915: 4341.959 + 6125.760 = 10467.719
1916: 4338.731 + 6129.34 = 10467.766
1917: 4330.319 + 6137.406 = 10467.725
1918: 4338.398 + 6129.316 = 10467.714
1919: 4334.569 + 6133.182 = 10467.751
1920: 4343.670 + 6124.269 = 10467.939
1921: 4320.555 + 6147.351 = 10467.907
1922: 4326.819 + 6141.103 = 10467.923
1923: 4330.147 + 6137.783 = 10467.930
1924: 4378.495 + 6089.503 = 10467.998
1925: 4318.262 + 6149.653 = 10467.915
1926: 4319.657 + 6148.310 = 10467.967
1927: 4260.802 + 6207.121 = 10467.923
1928: 4371.969 + 6096.389 = 10468.359
1929: 4376.862 + 6091.499 = 10468.362
1930: 4392.382 + 6075.991 = 10468.374
1931: 4365.87 + 6103.268 = 10468.356
1932: 4364.863 + 6103.479 = 10468.342
1933: 4374.594 + 6093.758 = 10468.353
1934: 4336.877 + 6131.474 = 10468.351
1935: 4348.800 + 6119.589 = 10468.389
1936: 4371.234 + 6096.820 = 10468.54
1937: 4375.381 + 6092.661 = 10468.42
1938: 4363.616 + 6104.442 = 10468.59
1939: 4391.442 + 6076.634 = 10468.76
1940: 4386.541 + 6081.539 = 10468.81
1941: 4342.974 + 6125.85 = 10468.60
1942: 4352.298 + 6115.777 = 10468.75
1943: 4376.739 + 6091.315 = 10468.55
1944: 4356.304 + 6111.577 = 10467.882
1945: 4286.337 + 6181.537 = 10467.874
1946: 4288.491 + 6179.430 = 10467.922
1947: 4336.385 + 6131.474 = 10467.859
1948: 4320.955 + 6146.945 = 10467.900
1949: 4333.867 + 6133.982 = 10467.850
1950: 4353.448 + 6114.437 = 10467.886
1951: 4331.439 + 6136.451 = 10467.891
1952: 4311.704 + 6156.957 = 10468.661
1953: 4350.697 + 6117.933 = 10468.630
1954: 4324.100 + 6144.522 = 10468.622
1955: 4460.743 + 6007.973 = 10468.716
1956: 4386.551 + 6082.137 = 10468.689
1957: 4346.932 + 6121.696 = 10468.629
1958: 4345.722 + 6122.916 = 10468.639
1959: 4325.22 + 6143.620 = 10468.642
1960: 4358.129 + 6109.21 = 10467.151
1961: 4382.18 + 6085.141 = 10467.160
1962: 4383.856 + 6083.394 = 10467.250
1963: 4362.501 + 6104.660 = 10467.161
1964: 4440.767 + 6026.374 = 10467.141
1965: 4384.668 + 6082.466 = 10467.134
1966: 4420.804 + 6046.368 = 10467.173
1967: 4359.267 + 6107.863 = 10467.131
1968: 4286.698 + 6181.258 = 10467.956
1969: 4324.248 + 6143.661 = 10467.909
1970: 4309.481 + 6158.404 = 10467.886
1971: 4354.705 + 6113.174 = 10467.879
1972: 4368.761 + 6099.134 = 10467.895
1973: 4370.445 + 6097.433 = 10467.879
1974: 4325.307 + 6142.595 = 10467.903
1975: 4317.855 + 6150.41 = 10467.896
1976: 4331.33 + 6137.297 = 10468.330
1977: 4317.81 + 6151.280 = 10468.361
1978: 4347.136 + 6121.182 = 10468.318
1979: 4342.499 + 6125.831 = 10468.331
1980: 4322.201 + 6146.149 = 10468.351
1981: 4310.427 + 6157.938 = 10468.366
1982: 4341.318 + 6126.967 = 10468.285
1983: 4345.102 + 6123.189 = 10468.291
1984: 4334.292 + 6133.624 = 10467.917
1985: 4417.826 + 6049.973 = 10467.800
1986: 4334.377 + 6133.391 = 10467.768
1987: 4353.99 + 6114.692 = 10467.791
1988: 4345.44 + 6122.723 = 10467.768
1989: 4313.02 + 6154.781 = 10467.783
1990: 4319.726 + 6148.63 = 10467.789
1991: 4386.810 + 6080.981 = 10467.791
1992: 4358.201 + 6110.38 = 10468.240
1993: 4382.763 + 6085.371 = 10468.134
1994: 4311.545 + 6156.601 = 10468.147
1995: 4323.52 + 6145.101 = 10468.153
1996: 4299.405 + 6168.768 = 10468.174
1997: 4321.35 + 6147.93 = 10468.128
1998: 4324.824 + 6143.362 = 10468.186
1999: 4282.307 + 6185.849 = 10468.156
2000: 4408.456 + 6058.732 = 10467.189
2001: 4330.534 + 6136.755 = 10467.289
2002: 4335.703 + 6131.463 = 10467.167
2003: 4326.168 + 6141.26 = 10467.194
2004: 4319.290 + 6147.915 = 10467.206
2005: 4298.295 + 6168.872 = 10467.167
2006: 4303.226 + 6164.08 = 10467.234
2007: 4337.252 + 6129.921 = 10467.174
2008: 4341.568 + 6126.351 = 10467.919
2009: 4295.575 + 6172.407 = 10467.982
2010: 4345.967 + 6122.01 = 10467.969
2011: 4339.133 + 6128.927 = 10468.61
2012: 4447.575 + 6020.377 = 10467.953
2013: 4321.448 + 6146.490 = 10467.938
2014: 4340.283 + 6127.646 = 10467.930
2015: 4315.602 + 6152.338 = 10467.941
2016: 4370.232 + 6098.369 = 10468.602
2017: 4356.638 + 6112.48 = 10468.686
2018: 4305.649 + 6162.945 = 10468.594
2019: 4348.193 + 6120.406 = 10468.600
2020: 4379.44 + 6089.576 = 10468.621
2021: 4345.219 + 6123.456 = 10468.675
2022: 4304.921 + 6163.670 = 10468.591
2023: 4304.613 + 6164.10 = 10468.624
2024: 4362.28 + 6105.928 = 10467.957
2025: 4260.831 + 6207.112 = 10467.943
2026: 4274.594 + 6193.344 = 10467.939
2027: 4317.342 + 6150.592 = 10467.934
2028: 4297.196 + 6170.729 = 10467.925
2029: 4319.648 + 6148.305 = 10467.953
2030: 4343.671 + 6124.282 = 10467.953
2031: 4384.794 + 6083.180 = 10467.974
2032: 4335.537 + 6132.48 = 10467.585
2033: 4347.235 + 6120.351 = 10467.586
2034: 4311.97 + 6156.504 = 10467.601
2035: 4319.935 + 6147.662 = 10467.597
2036: 4306.773 + 6160.820 = 10467.593
2037: 4322.850 + 6144.745 = 10467.596
2038: 4372.916 + 6094.670 = 10467.586
2039: 4290.628 + 6176.949 = 10467.578
2040: 4326.579 + 6141.301 = 10467.880
2041: 4329.123 + 6138.746 = 10467.869
2042: 4322.993 + 6144.901 = 10467.894
2043: 4366.399 + 6101.597 = 10467.996
2044: 4325.829 + 6142.49 = 10467.879
2045: 4332.946 + 6134.926 = 10467.873
2046: 4354.557 + 6113.355 = 10467.913
2047: 4315.607 + 6152.272 = 10467.879
----------------------------------------
----- accounting info -----
Files used on the parent node frontier00056 were:
Sat 05 Aug 2023 07:36:03 PM EDT
4.423u 9.148s 2:55:00.56 0.1% 0+0k 20280+1824io 56pf+0w