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:
frontier00120
frontier00380
frontier00512
frontier00634
frontier00764
frontier00891
frontier01016
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mkdir -p /lustre/orion/scratch/saromleang/chm135/1397169
Input file supplied : msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.inp
----- GAMESS execution script 'rungms-dev' -----
This job is running on host frontier00120
under operating system Linux at Sat 05 Aug 2023 01:34:25 AM 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 663070048530432 86811102076928 576258680483840 14% /lustre/orion
GAMESS temporary binary files will be written to /lustre/orion/scratch/saromleang/chm135/1397169
GAMESS supplementary output files will be written to /lustre/orion/scratch/saromleang/chm135/1397169/restart
limit stacksize 786432
unset echo
Copying input file msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.inp to your run's scratch directory...
cp msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.inp /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_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.rcut1_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.rcut1_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/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.efp
setenv GAMMA /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.gamma
setenv TRAJECT /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.trj
setenv RESTART /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.rst
setenv QMWAVE /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.qmw
setenv MDDIP /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.dip
setenv OPTHES1 /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.hs1
setenv OPTHES2 /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.hs2
setenv FCIDUMP /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.FCIDUMP
setenv XYZ /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.xyz
setenv IRCDATA /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F04
setenv INPUT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F05
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.dat
setenv NAMDRST /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.namdrst
setenv AOINTS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F08
setenv MOINTS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F09
setenv DICTNRY /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F10
setenv DRTFILE /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F11
setenv CIVECTR /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F12
setenv CASINTS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F13
setenv CIINTS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F14
setenv WORK15 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F15
setenv WORK16 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F16
setenv CSFSAVE /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F17
setenv FOCKDER /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F18
setenv WORK19 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F19
setenv DASORT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F20
setenv DIABDAT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F21
setenv DFTINTS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F21
setenv DFTGRID /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F22
setenv JKFILE /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F23
setenv ORDINT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F24
setenv EFPIND /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F25
setenv PCMDATA /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F26
setenv PCMINTS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F27
setenv SVPWRK1 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F26
setenv SVPWRK2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F27
setenv COSCAV /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F26
setenv COSDATA /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.cosmo
setenv COSPOT /lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.pot
setenv MLTPL /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F28
setenv MLTPLT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F29
setenv DAFL30 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F30
setenv SOINTX /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F31
setenv SOINTY /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F32
setenv SOINTZ /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F33
setenv SORESC /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F34
setenv QOPWRF /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.wrf
setenv GCILIST /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F37
setenv HESSIAN /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F38
setenv QMMMTEI /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F39
setenv SOCCDAT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F40
setenv AABB41 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F41
setenv BBAA42 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F42
setenv BBBB43 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F43
setenv REMD /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F44
setenv UNV /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F45
setenv UNPV /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F46
setenv MCQD50 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F50
setenv MCQD51 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F51
setenv MCQD52 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F52
setenv MCQD53 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F53
setenv MCQD54 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F54
setenv MCQD55 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F55
setenv MCQD56 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F56
setenv MCQD57 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F57
setenv MCQD58 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F58
setenv MCQD59 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F59
setenv MCQD60 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F60
setenv MCQD61 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F61
setenv MCQD62 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F62
setenv MCQD63 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F63
setenv MCQD64 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F64
setenv NMRINT1 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F61
setenv NMRINT2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F62
setenv NMRINT3 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F63
setenv NMRINT4 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F64
setenv NMRINT5 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F65
setenv NMRINT6 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F66
setenv DCPHFH2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F67
setenv DCPHF21 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F68
setenv ELNUINT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F67
setenv NUNUINT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F68
setenv GVVPT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F69
setenv NUMOIN /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F69
setenv NUMOCAS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F70
setenv NUELMO /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F71
setenv NUELCAS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F72
setenv EPOVRLP /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F73
setenv RIVMAT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F51
setenv RIT2A /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F52
setenv RIT3A /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F53
setenv RIT2B /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F54
setenv RIT3B /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F55
setenv KI /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F47
setenv BI /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F48
setenv PRMERI /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F49
setenv TRSERI /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F50
setenv PVP /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F51
setenv TPVPI /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F52
setenv TPVPJ /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F53
setenv PPVPP /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F54
setenv TPPVPP /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F55
setenv DEN2P1 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F70
setenv DEN2P2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F71
setenv DEN2P3 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F72
setenv DEN2P4 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F73
setenv DEN2NM /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F74
setenv DEN2OPT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F75
setenv GMCREF /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F70
setenv GMCO2R /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F71
setenv GMCROC /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F72
setenv GMCOOC /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F73
setenv GMCCC0 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F74
setenv GMCHMA /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F75
setenv GMCEI1 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F76
setenv GMCEI2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F77
setenv GMCEOB /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F78
setenv GMCEDT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F79
setenv GMCERF /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F80
setenv GMCHCR /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F81
setenv GMCGJK /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F82
setenv GMCGAI /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F83
setenv GMCGEO /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F84
setenv GMCTE1 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F85
setenv GMCTE2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F86
setenv GMCHEF /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F87
setenv GMCMOL /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F88
setenv GMCMOS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F89
setenv GMCWGT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F90
setenv GMCRM2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F91
setenv GMCRM1 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F92
setenv GMCR00 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F93
setenv GMCRP1 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F94
setenv GMCRP2 /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F95
setenv GMCVEF /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F96
setenv GMCDIN /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F97
setenv GMC2SZ /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F98
setenv GMCCCS /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F99
unset echo
This is a GDDI run, keeping various output files on local disks
setenv OUTPUT /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F06
setenv PUNCH /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F07
unset echo
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.casino': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.dmn': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.cim': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.cosmo': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.pot': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.gamma': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.efp': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.dip': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.hs1': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.hs2': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F07': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.qmw': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.rst': No such file or directory
rm: cannot remove '/lustre/orion/scratch/saromleang/chm135/1397169/restart/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.trj': No such file or directory
GDDI has to copy your input to every node ...
Creating /lustre/orion/scratch/saromleang/chm135/1397169 on every node
Copying /lustre/orion/scratch/saromleang/chm135/1397169/msn_05frag_4600water_efmo_rimp2.rcut1_0128N-0128-cpu.F05 to every node
Deleting semid=65551.
Deleting semid=65551.
ipcrm: invalid id (65551)
Deleting semid=65552.
Deleting semid=65552.
Deleting semid=65553.
ipcrm: invalid id (65552)
Deleting semid=65553.
Deleting semid=65554.
ipcrm: invalid id (65553)
Deleting semid=65554.
Deleting semid=65555.
ipcrm: invalid id (65554)
Deleting semid=65555.
Deleting semid=65556.
ipcrm: invalid id (65555)
Deleting semid=65556.
Deleting semid=65557.
ipcrm: invalid id (65556)
Deleting semid=65557.
Deleting semid=65558.
ipcrm: invalid id (65557)
Deleting semid=65558.
Deleting semid=65559.
ipcrm: invalid id (65558)
Deleting semid=65559.
Deleting semid=65560.
ipcrm: invalid id (65559)
Deleting semid=65559.
Deleting semid=65560.
Deleting semid=65547.
Deleting semid=65559.
Deleting semid=65547.
Deleting semid=65536.
Deleting semid=65536.
ipcrm: invalid id (65560)
ipcrm: invalid id (65559)
Deleting semid=65560.
Deleting semid=65560.
ipcrm: invalid id (65547)
Deleting semid=65548.
Deleting semid=65548.
ipcrm: invalid id (65536)
Deleting semid=65537.
Deleting semid=65537.
Deleting semid=65561.
ipcrm: invalid id (65560)
Deleting semid=65561.
Deleting semid=65549.
ipcrm: invalid id (65548)
Deleting semid=65549.
Deleting semid=65538.
ipcrm: invalid id (65537)
Deleting semid=65538.
Deleting semid=65562.
ipcrm: invalid id (65561)
Deleting semid=65562.
Deleting semid=65550.
ipcrm: invalid id (65549)
Deleting semid=65550.
Deleting semid=65539.
ipcrm: invalid id (65538)
Deleting semid=65539.
Deleting semid=65563.
ipcrm: invalid id (65562)
Deleting semid=65563.
Deleting semid=65551.
ipcrm: invalid id (65550)
Deleting semid=65551.
Deleting semid=65540.
ipcrm: invalid id (65539)
Deleting semid=65540.
Deleting semid=65564.
ipcrm: invalid id (65563)
Deleting semid=65564.
Deleting semid=65552.
ipcrm: invalid id (65551)
Deleting semid=65552.
Deleting semid=65541.
ipcrm: invalid id (65540)
Deleting semid=65541.
Deleting semid=65565.
ipcrm: invalid id (65564)
Deleting semid=65565.
Deleting semid=65553.
ipcrm: invalid id (65552)
Deleting semid=65553.
Deleting semid=32828.
ipcrm: invalid id (65541)
Deleting semid=32828.
Deleting semid=65566.
ipcrm: invalid id (65565)
Deleting semid=65566.
Deleting semid=65554.
ipcrm: invalid id (65553)
Deleting semid=65554.
Deleting semid=32829.
ipcrm: invalid id (32828)
Deleting semid=32829.
Deleting semid=65567.
ipcrm: invalid id (65566)
Deleting semid=65567.
Deleting semid=65555.
ipcrm: invalid id (65554)
Deleting semid=65555.
Deleting semid=32830.
ipcrm: invalid id (32829)
Deleting semid=32830.
Deleting semid=65568.
ipcrm: invalid id (65567)
Deleting semid=65568.
Deleting semid=65556.
ipcrm: invalid id (65555)
Deleting semid=65556.
Deleting semid=32831.
ipcrm: invalid id (32830)
Deleting semid=32831.
ipcrm: invalid id (65568)
ipcrm: invalid id (65556)
ipcrm: invalid id (32831)
Note: the module "perftools-base" cannot be unloaded because it was not loaded.
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.rcut1_0128N-0128-cpu
cpu-bind=MASK - frontier10485, task 2016 0 [71670]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05242, task 768 0 [51537]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05242, task 769 1 [51538]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08307, task 1728 0 [79424]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10485, task 2017 1 [71671]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05242, task 770 2 [51539]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05242, task 771 3 [51540]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08307, task 1729 1 [79425]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05495, task 816 0 [49338]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05495, task 817 1 [49339]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03959, task 448 0 [50335]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05241, task 752 0 [25882]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08823, task 1856 0 [49901]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08823, task 1857 1 [49902]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04984, task 704 0 [13577]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04984, task 705 1 [13578]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10485, task 2018 2 [71672]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08307, task 1730 2 [79426]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05495, task 818 2 [49340]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05495, task 819 3 [49341]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06774, task 1248 0 [58283]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06774, task 1249 1 [58284]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08827, task 1872 0 [66013]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08827, task 1873 1 [66014]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05877, task 912 0 [123331]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05877, task 913 1 [123332]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07548, task 1536 0 [87994]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06904, task 1296 0 [57517]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06904, task 1297 1 [57518]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06011, task 960 0 [99528]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02680, task 288 0 [75078]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02680, task 289 1 [75079]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07674, task 1584 0 [16946]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04726, task 624 0 [118416]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02170, task 240 0 [129586]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02170, task 241 1 [129587]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01401, task 144 0 [19360]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01401, task 145 1 [19361]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03959, task 449 1 [50336]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03959, task 450 2 [50337]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07667, task 1552 0 [130053]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03192, task 352 0 [16011]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02299, task 256 0 [107416]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08947, task 1888 0 [96674]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08947, task 1889 1 [96675]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07930, task 1648 0 [76391]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07412, task 1456 0 [11085]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00380, task 16 0 [72224]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00380, task 17 1 [72225]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05751, task 880 0 [3841]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05751, task 881 1 [3842]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10488, task 2032 0 [10438]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10488, task 2033 1 [10439]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01144, task 112 0 [104323]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01144, task 113 1 [104324]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06644, task 1168 0 [31754]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06902, task 1264 0 [34878]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06902, task 1265 1 [34879]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03575, task 400 0 [128620]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04214, task 496 0 [9813]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04214, task 497 1 [9814]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05241, task 753 1 [25883]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08823, task 1858 2 [49903]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04984, task 706 2 [13579]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04984, task 707 3 [13580]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08567, task 1808 0 [120669]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00891, task 80 0 [41533]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00891, task 81 1 [41534]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04472, task 560 0 [66544]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05623, task 848 0 [121263]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06521, task 1136 0 [55900]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02044, task 224 0 [24699]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02044, task 225 1 [24700]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08951, task 1904 0 [85757]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08951, task 1905 1 [85758]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07801, task 1616 0 [25609]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04215, task 512 0 [123301]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01660, task 176 0 [117596]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01660, task 177 1 [117597]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08051, task 1664 0 [5586]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07284, task 1424 0 [45768]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01784, task 192 0 [71922]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06646, task 1200 0 [117213]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06392, task 1104 0 [10619]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06392, task 1105 1 [10620]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07419, task 1488 0 [72066]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08442, task 1776 0 [77683]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08695, task 1824 0 [120911]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10232, task 1968 0 [41103]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier09077, task 1920 0 [125500]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier09077, task 1921 1 [125501]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03447, task 384 0 [128519]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00120, task 0 0 [15776]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06522, task 1152 0 [3200]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04091, task 480 0 [36003]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06134, task 1008 0 [122196]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04345, task 528 0 [66494]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06263, task 1056 0 [126495]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04983, task 688 0 [66296]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08563, task 1792 0 [117356]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05878, task 928 0 [70740]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08311, task 1744 0 [95319]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04597, task 592 0 [89956]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10359, task 1984 0 [105138]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10359, task 1985 1 [105139]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05110, task 736 0 [129108]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05496, task 832 0 [43236]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05496, task 833 1 [43237]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05365, task 784 0 [77195]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07155, task 1360 0 [94789]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07540, task 1504 0 [31117]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07540, task 1505 1 [31118]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07797, task 1600 0 [67813]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06390, task 1072 0 [42282]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06390, task 1073 1 [42283]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07283, task 1408 0 [81747]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06772, task 1216 0 [119123]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06772, task 1217 1 [119124]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10485, task 2019 3 [71673]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05242, task 772 4 [51541]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08307, task 1731 3 [79427]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05495, task 820 4 [49342]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06774, task 1250 2 [58285]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06774, task 1251 3 [58286]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08827, task 1874 2 [66015]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08827, task 1875 3 [66016]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05877, task 914 2 [123333]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05877, task 915 3 [123334]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07548, task 1537 1 [87995]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07548, task 1538 2 [87996]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06904, task 1298 2 [57519]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06011, task 961 1 [99529]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02680, task 290 2 [75080]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07674, task 1585 1 [16947]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04726, task 625 1 [118417]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02170, task 242 2 [129588]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01401, task 146 2 [19362]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01401, task 147 3 [19363]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03959, task 451 3 [50338]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07667, task 1553 1 [130054]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03192, task 353 1 [16012]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02299, task 257 1 [107417]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08947, task 1890 2 [96676]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08947, task 1891 3 [96677]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07930, task 1649 1 [76392]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07930, task 1650 2 [76393]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07412, task 1457 1 [11086]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00380, task 18 2 [72226]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00380, task 19 3 [72227]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05751, task 882 2 [3843]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05751, task 883 3 [3844]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10488, task 2034 2 [10440]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier10488, task 2035 3 [10441]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01144, task 114 2 [104325]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01144, task 115 3 [104326]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06644, task 1169 1 [31755]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06902, task 1266 2 [34880]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06902, task 1267 3 [34881]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03575, task 401 1 [128621]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03575, task 402 2 [128622]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04214, task 498 2 [9815]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04214, task 499 3 [9816]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05241, task 754 2 [25884]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08823, task 1859 3 [49904]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04984, task 708 4 [13581]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08567, task 1809 1 [120670]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00891, task 82 2 [41535]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00891, task 83 3 [41536]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04472, task 561 1 [66545]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05623, task 849 1 [121264]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06521, task 1137 1 [55901]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02044, task 226 2 [24701]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02044, task 227 3 [24702]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08951, task 1906 2 [85759]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08951, task 1907 3 [85760]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07801, task 1617 1 [25610]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07801, task 1618 2 [25611]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04215, task 513 1 [123302]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01660, task 178 2 [117598]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08051, task 1665 1 [5587]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07284, task 1425 1 [45769]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07284, task 1426 2 [45770]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01784, task 193 1 [71923]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01784, task 194 2 [71924]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06646, task 1201 1 [117214]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06392, task 1106 2 [10621]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06392, task 1107 3 [10622]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07419, task 1489 1 [72067]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08442, task 1777 1 [77684]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08442, task 1778 2 [77685]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08695, task 1825 1 [120912]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10232, task 1969 1 [41104]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10232, task 1970 2 [41105]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier09077, task 1922 2 [125502]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier09077, task 1923 3 [125503]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03447, task 385 1 [128520]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier00120, task 1 1 [15777]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06522, task 1153 1 [3201]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04091, task 481 1 [36004]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04091, task 482 2 [36005]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06134, task 1009 1 [122197]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04345, task 529 1 [66495]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06263, task 1057 1 [126496]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04983, task 689 1 [66297]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08563, task 1793 1 [117357]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05878, task 929 1 [70741]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08311, task 1745 1 [95320]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04597, task 593 1 [89957]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10359, task 1986 2 [105140]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05110, task 737 1 [129109]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05496, task 834 2 [43238]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05496, task 835 3 [43239]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05365, task 785 1 [77196]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07155, task 1361 1 [94790]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07540, task 1506 2 [31119]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07540, task 1507 3 [31120]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07797, task 1601 1 [67814]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06390, task 1074 2 [42284]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06390, task 1075 3 [42285]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07283, task 1409 1 [81748]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06772, task 1218 2 [119125]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06772, task 1219 3 [119126]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05624, task 864 0 [86849]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05624, task 865 1 [86850]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03063, task 336 0 [15894]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00634, task 48 0 [86154]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01016, task 96 0 [65241]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01016, task 97 1 [65242]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05109, task 720 0 [125846]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05109, task 721 1 [125847]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08055, task 1680 0 [111369]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07166, task 1392 0 [30436]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07166, task 1393 1 [30437]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07926, task 1632 0 [96035]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04473, task 576 0 [121917]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07295, task 1440 0 [31196]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03833, task 432 0 [119829]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07029, task 1344 0 [32885]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04855, task 672 0 [2627]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04727, task 640 0 [69770]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06261, task 1024 0 [2088]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07027, task 1312 0 [9847]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08699, task 1840 0 [24351]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06132, task 976 0 [106737]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06132, task 977 1 [106738]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06520, task 1120 0 [102785]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02807, task 304 0 [86416]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier09081, task 1936 0 [26612]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04346, task 544 0 [98821]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04346, task 545 1 [98822]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08181, task 1696 0 [127090]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01530, task 160 0 [58509]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier00764, task 64 0 [93314]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01918, task 208 0 [89307]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01918, task 209 1 [89308]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01273, task 128 0 [93155]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier01273, task 129 1 [93156]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06010, task 944 0 [57205]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06010, task 945 1 [57206]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08438, task 1760 0 [30527]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07028, task 1328 0 [53650]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07028, task 1329 1 [53651]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10228, task 1952 0 [88307]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08185, task 1712 0 [34140]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier08185, task 1713 1 [34141]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07545, task 1520 0 [85838]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10363, task 2000 0 [86870]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier10363, task 2001 1 [86871]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06391, task 1088 0 [7908]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06391, task 1089 1 [7909]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07671, task 1568 0 [3798]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier03321, task 368 0 [66535]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier02937, task 320 0 [86004]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06773, task 1232 0 [114903]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06903, task 1280 0 [29602]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07156, task 1376 0 [23404]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier07156, task 1377 1 [23405]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10485, task 2020 4 [71674]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05242, task 773 5 [51542]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08307, task 1732 4 [79428]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05495, task 821 5 [49343]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06774, task 1252 4 [58287]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08827, task 1876 4 [66017]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05877, task 916 4 [123335]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07548, task 1539 3 [87997]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06904, task 1299 3 [57520]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06011, task 962 2 [99530]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02680, task 291 3 [75081]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07674, task 1586 2 [16948]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04726, task 626 2 [118418]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02170, task 243 3 [129589]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01401, task 148 4 [19364]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03959, task 452 4 [50339]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07667, task 1554 2 [130055]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03192, task 354 2 [16013]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02299, task 258 2 [107418]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08947, task 1892 4 [96678]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07930, task 1651 3 [76394]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07412, task 1458 2 [11087]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00380, task 20 4 [72228]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05751, task 884 4 [3845]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10488, task 2036 4 [10442]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10488, task 2037 5 [10443]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01144, task 116 4 [104327]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06644, task 1170 2 [31756]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06902, task 1268 4 [34882]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03575, task 403 3 [128623]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04214, task 500 4 [9817]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05241, task 755 3 [25885]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08823, task 1860 4 [49905]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04984, task 709 5 [13582]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08567, task 1810 2 [120671]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00891, task 84 4 [41537]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04472, task 562 2 [66546]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05623, task 850 2 [121265]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06521, task 1138 2 [55902]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02044, task 228 4 [24703]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08951, task 1908 4 [85761]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07801, task 1619 3 [25612]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04215, task 514 2 [123303]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01660, task 179 3 [117599]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08051, task 1666 2 [5588]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07284, task 1427 3 [45771]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01784, task 195 3 [71925]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06646, task 1202 2 [117215]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06392, task 1108 4 [10623]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07419, task 1490 2 [72068]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08442, task 1779 3 [77686]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08695, task 1826 2 [120913]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier10232, task 1971 3 [41106]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier09077, task 1924 4 [125504]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03447, task 386 2 [128521]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00120, task 2 2 [15778]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06522, task 1154 2 [3202]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04091, task 483 3 [36006]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06134, task 1010 2 [122198]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04345, task 530 2 [66496]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06263, task 1058 2 [126497]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04983, task 690 2 [66298]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08563, task 1794 2 [117358]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05878, task 930 2 [70742]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08311, task 1746 2 [95321]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04597, task 594 2 [89958]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier10359, task 1987 3 [105141]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05110, task 738 2 [129110]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05496, task 836 4 [43240]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05365, task 786 2 [77197]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07155, task 1362 2 [94791]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07540, task 1508 4 [31121]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07797, task 1602 2 [67815]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06390, task 1076 4 [42286]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07283, task 1410 2 [81749]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06772, task 1220 4 [119127]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05624, task 866 2 [86851]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05624, task 867 3 [86852]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03063, task 337 1 [15895]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03063, task 338 2 [15896]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00634, task 49 1 [86155]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01016, task 98 2 [65243]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01016, task 99 3 [65244]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05109, task 722 2 [125848]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05109, task 723 3 [125849]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08055, task 1681 1 [111370]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07166, task 1394 2 [30438]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07926, task 1633 1 [96036]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07926, task 1634 2 [96037]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04473, task 577 1 [121918]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07295, task 1441 1 [31197]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03833, task 433 1 [119830]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07029, task 1345 1 [32886]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04855, task 673 1 [2628]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04727, task 641 1 [69771]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06261, task 1025 1 [2089]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07027, task 1313 1 [9848]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08699, task 1841 1 [24352]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08699, task 1842 2 [24353]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06132, task 978 2 [106739]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06132, task 979 3 [106740]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06520, task 1121 1 [102786]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02807, task 305 1 [86417]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier09081, task 1937 1 [26613]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier09081, task 1938 2 [26614]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04346, task 546 2 [98823]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04346, task 547 3 [98824]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08181, task 1697 1 [127091]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01530, task 161 1 [58510]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01530, task 162 2 [58511]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier00764, task 65 1 [93315]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier01918, task 210 2 [89309]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01918, task 211 3 [89310]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01273, task 130 2 [93157]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01273, task 131 3 [93158]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06010, task 946 2 [57207]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06010, task 947 3 [57208]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08438, task 1761 1 [30528]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08438, task 1762 2 [30529]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07028, task 1330 2 [53652]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07028, task 1331 3 [53653]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10228, task 1953 1 [88308]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier08185, task 1714 2 [34142]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08185, task 1715 3 [34143]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07545, task 1521 1 [85839]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10363, task 2002 2 [86872]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier10363, task 2003 3 [86873]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06391, task 1090 2 [7910]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06391, task 1091 3 [7911]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07671, task 1569 1 [3799]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07671, task 1570 2 [3800]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03321, task 369 1 [66536]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02937, task 321 1 [86005]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02937, task 322 2 [86006]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06773, task 1233 1 [114904]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06903, task 1281 1 [29603]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07156, task 1378 2 [23406]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07156, task 1379 3 [23407]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00512, task 32 0 [46813]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05366, task 800 0 [99820]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05366, task 801 1 [99821]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier03707, task 416 0 [60955]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06645, task 1184 0 [70656]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06645, task 1185 1 [70657]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier07413, task 1472 0 [12577]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04854, task 656 0 [54429]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04854, task 657 1 [54430]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04090, task 464 0 [28759]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04090, task 465 1 [28760]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier02427, task 272 0 [77758]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06133, task 992 0 [45564]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier06262, task 1040 0 [60256]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05752, task 896 0 [104734]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier05752, task 897 1 [104735]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04598, task 608 0 [100758]: mask 0xe000000000000000e set
cpu-bind=MASK - frontier04598, task 609 1 [100759]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier10485, task 2021 5 [71675]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05242, task 774 6 [51543]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08307, task 1733 5 [79429]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05495, task 822 6 [49344]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06774, task 1253 5 [58288]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08827, task 1877 5 [66018]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05877, task 917 5 [123336]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07548, task 1540 4 [87998]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06904, task 1300 4 [57521]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06011, task 963 3 [99531]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02680, task 292 4 [75082]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07674, task 1587 3 [16949]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04726, task 627 3 [118419]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02170, task 244 4 [129590]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01401, task 149 5 [19365]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03959, task 453 5 [50340]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07667, task 1555 3 [130056]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03192, task 355 3 [16014]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02299, task 259 3 [107419]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08947, task 1893 5 [96679]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07930, task 1652 4 [76395]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07412, task 1459 3 [11088]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00380, task 21 5 [72229]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05751, task 885 5 [3846]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10488, task 2038 6 [10444]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01144, task 117 5 [104328]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06644, task 1171 3 [31757]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06902, task 1269 5 [34883]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03575, task 404 4 [128624]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04214, task 501 5 [9818]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05241, task 756 4 [25886]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08823, task 1861 5 [49906]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04984, task 710 6 [13583]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08567, task 1811 3 [120672]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00891, task 85 5 [41538]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04472, task 563 3 [66547]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05623, task 851 3 [121266]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06521, task 1139 3 [55903]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02044, task 229 5 [24704]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08951, task 1909 5 [85762]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07801, task 1620 4 [25613]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04215, task 515 3 [123304]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01660, task 180 4 [117600]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08051, task 1667 3 [5589]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07284, task 1428 4 [45772]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01784, task 196 4 [71926]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01784, task 197 5 [71927]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06646, task 1203 3 [117216]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06392, task 1109 5 [10624]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07419, task 1491 3 [72069]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08442, task 1780 4 [77687]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08695, task 1827 3 [120914]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10232, task 1972 4 [41107]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier09077, task 1925 5 [125505]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03447, task 387 3 [128522]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00120, task 3 3 [15779]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06522, task 1155 3 [3204]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04091, task 484 4 [36007]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06134, task 1011 3 [122199]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04345, task 531 3 [66497]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06263, task 1059 3 [126498]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04983, task 691 3 [66299]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08563, task 1795 3 [117359]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05878, task 931 3 [70743]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08311, task 1747 3 [95322]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04597, task 595 3 [89959]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10359, task 1988 4 [105142]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05110, task 739 3 [129111]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05496, task 837 5 [43241]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05365, task 787 3 [77198]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07155, task 1363 3 [94792]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07540, task 1509 5 [31122]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07797, task 1603 3 [67816]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06390, task 1077 5 [42287]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07283, task 1411 3 [81750]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06772, task 1221 5 [119128]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05624, task 868 4 [86853]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03063, task 339 3 [15897]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00634, task 50 2 [86156]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01016, task 100 4 [65245]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05109, task 724 4 [125850]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08055, task 1682 2 [111371]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07166, task 1395 3 [30439]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07166, task 1396 4 [30440]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07926, task 1635 3 [96038]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04473, task 578 2 [121919]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07295, task 1442 2 [31198]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier03833, task 434 2 [119831]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07029, task 1346 2 [32887]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04855, task 674 2 [2629]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04727, task 642 2 [69772]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06261, task 1026 2 [2090]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07027, task 1314 2 [9849]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08699, task 1843 3 [24354]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06132, task 980 4 [106741]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06520, task 1122 2 [102787]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02807, task 306 2 [86418]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier09081, task 1939 3 [26615]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04346, task 548 4 [98825]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08181, task 1698 2 [127092]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01530, task 163 3 [58512]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier00764, task 66 2 [93316]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier01918, task 212 4 [89311]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01273, task 132 4 [93159]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06010, task 948 4 [57209]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08438, task 1763 3 [30530]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07028, task 1332 4 [53654]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10228, task 1954 2 [88309]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier08185, task 1716 4 [34144]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07545, task 1522 2 [85840]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier10363, task 2004 4 [86874]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06391, task 1092 4 [7912]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07671, task 1571 3 [3805]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03321, task 370 2 [66537]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier02937, task 323 3 [86007]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06773, task 1234 2 [114905]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06903, task 1282 2 [29604]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07156, task 1380 4 [23408]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00512, task 33 1 [46814]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05366, task 802 2 [99822]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05366, task 803 3 [99823]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03707, task 417 1 [60956]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06645, task 1186 2 [70658]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier07413, task 1473 1 [12578]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier04854, task 658 2 [54431]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04090, task 466 2 [28761]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04090, task 467 3 [28762]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02427, task 273 1 [77759]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06133, task 993 1 [45565]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier06133, task 994 2 [45566]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06262, task 1041 1 [60257]: mask 0xe000000000000000e00 set
cpu-bind=MASK - frontier05752, task 898 2 [104736]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05752, task 899 3 [104737]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04598, task 610 2 [100760]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04598, task 611 3 [100761]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10485, task 2022 6 [71676]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05242, task 775 7 [51544]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08307, task 1734 6 [79430]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05495, task 823 7 [49345]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06774, task 1254 6 [58289]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08827, task 1878 6 [66019]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05877, task 918 6 [123337]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07548, task 1541 5 [87999]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06904, task 1301 5 [57522]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06011, task 964 4 [99532]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02680, task 293 5 [75083]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07674, task 1588 4 [16950]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04726, task 628 4 [118420]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02170, task 245 5 [129591]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01401, task 150 6 [19366]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03959, task 454 6 [50341]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07667, task 1556 4 [130057]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03192, task 356 4 [16015]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02299, task 260 4 [107420]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08947, task 1894 6 [96680]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07930, task 1653 5 [76396]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07412, task 1460 4 [11089]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00380, task 22 6 [72230]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05751, task 886 6 [3847]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10488, task 2039 7 [10445]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01144, task 118 6 [104329]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06644, task 1172 4 [31758]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06902, task 1270 6 [34884]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03575, task 405 5 [128625]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04214, task 502 6 [9819]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05241, task 757 5 [25887]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08823, task 1862 6 [49907]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04984, task 711 7 [13584]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08567, task 1812 4 [120673]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00891, task 86 6 [41539]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04472, task 564 4 [66548]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05623, task 852 4 [121267]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06521, task 1140 4 [55904]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02044, task 230 6 [24705]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08951, task 1910 6 [85763]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07801, task 1621 5 [25614]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04215, task 516 4 [123305]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01660, task 181 5 [117601]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08051, task 1668 4 [5590]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07284, task 1429 5 [45773]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01784, task 198 6 [71928]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06646, task 1204 4 [117217]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06392, task 1110 6 [10625]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07419, task 1492 4 [72070]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08442, task 1781 5 [77688]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08695, task 1828 4 [120915]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10232, task 1973 5 [41108]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier09077, task 1926 6 [125506]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03447, task 388 4 [128523]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00120, task 4 4 [15780]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06522, task 1156 4 [3205]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04091, task 485 5 [36008]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06134, task 1012 4 [122200]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04345, task 532 4 [66498]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06263, task 1060 4 [126499]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04983, task 692 4 [66300]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08563, task 1796 4 [117360]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05878, task 932 4 [70744]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08311, task 1748 4 [95323]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04597, task 596 4 [89960]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10359, task 1989 5 [105143]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05110, task 740 4 [129112]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05496, task 838 6 [43242]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05365, task 788 4 [77199]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07155, task 1364 4 [94793]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07540, task 1510 6 [31123]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07797, task 1604 4 [67817]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06390, task 1078 6 [42288]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07283, task 1412 4 [81751]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06772, task 1222 6 [119129]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05624, task 869 5 [86854]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03063, task 340 4 [15898]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00634, task 51 3 [86157]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01016, task 101 5 [65246]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05109, task 725 5 [125851]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08055, task 1683 3 [111372]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07166, task 1397 5 [30441]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07926, task 1636 4 [96039]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04473, task 579 3 [121920]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07295, task 1443 3 [31199]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier03833, task 435 3 [119832]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07029, task 1347 3 [32888]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04855, task 675 3 [2630]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04727, task 643 3 [69773]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06261, task 1027 3 [2091]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07027, task 1315 3 [9850]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08699, task 1844 4 [24355]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06132, task 981 5 [106742]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06520, task 1123 3 [102788]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02807, task 307 3 [86419]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier09081, task 1940 4 [26616]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04346, task 549 5 [98826]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08181, task 1699 3 [127093]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01530, task 164 4 [58513]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier00764, task 67 3 [93317]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier01918, task 213 5 [89312]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01273, task 133 5 [93160]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06010, task 949 5 [57210]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08438, task 1764 4 [30531]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07028, task 1333 5 [53655]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10228, task 1955 3 [88310]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier08185, task 1717 5 [34145]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07545, task 1523 3 [85841]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier10363, task 2005 5 [86875]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06391, task 1093 5 [7913]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07671, task 1572 4 [3806]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03321, task 371 3 [66538]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier02937, task 324 4 [86008]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06773, task 1235 3 [114906]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06903, task 1283 3 [29605]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07156, task 1381 5 [23409]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00512, task 34 2 [46815]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05366, task 804 4 [99824]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03707, task 418 2 [60957]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06645, task 1187 3 [70659]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier07413, task 1474 2 [12579]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier04854, task 659 3 [54432]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04090, task 468 4 [28763]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02427, task 274 2 [77760]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier06133, task 995 3 [45567]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06262, task 1042 2 [60258]: mask 0xe000000000000000e0000 set
cpu-bind=MASK - frontier05752, task 900 4 [104738]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04598, task 612 4 [100762]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10485, task 2023 7 [71677]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05242, task 776 8 [51545]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08307, task 1735 7 [79431]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05495, task 824 8 [49346]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06774, task 1255 7 [58290]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08827, task 1879 7 [66020]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05877, task 919 7 [123338]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07548, task 1542 6 [88000]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06904, task 1302 6 [57523]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06011, task 965 5 [99533]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02680, task 294 6 [75084]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07674, task 1589 5 [16951]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04726, task 629 5 [118421]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02170, task 246 6 [129592]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01401, task 151 7 [19367]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03959, task 455 7 [50342]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07667, task 1557 5 [130058]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03192, task 357 5 [16016]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02299, task 261 5 [107421]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08947, task 1895 7 [96681]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07930, task 1654 6 [76397]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07412, task 1461 5 [11090]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00380, task 23 7 [72231]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05751, task 887 7 [3848]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10488, task 2040 8 [10446]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01144, task 119 7 [104330]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06644, task 1173 5 [31759]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06902, task 1271 7 [34885]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03575, task 406 6 [128626]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04214, task 503 7 [9820]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05241, task 758 6 [25888]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08823, task 1863 7 [49908]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04984, task 712 8 [13585]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08567, task 1813 5 [120674]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00891, task 87 7 [41540]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04472, task 565 5 [66549]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05623, task 853 5 [121268]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06521, task 1141 5 [55905]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02044, task 231 7 [24706]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08951, task 1911 7 [85764]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07801, task 1622 6 [25615]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04215, task 517 5 [123306]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01660, task 182 6 [117602]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08051, task 1669 5 [5591]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07284, task 1430 6 [45774]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01784, task 199 7 [71929]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06646, task 1205 5 [117218]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06392, task 1111 7 [10626]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07419, task 1493 5 [72071]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08442, task 1782 6 [77689]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08695, task 1829 5 [120916]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10232, task 1974 6 [41109]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier09077, task 1927 7 [125507]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03447, task 389 5 [128524]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00120, task 5 5 [15781]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06522, task 1157 5 [3206]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04091, task 486 6 [36009]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06134, task 1013 5 [122201]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04345, task 533 5 [66499]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06263, task 1061 5 [126500]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04983, task 693 5 [66301]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08563, task 1797 5 [117361]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05878, task 933 5 [70745]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08311, task 1749 5 [95324]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04597, task 597 5 [89961]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10359, task 1990 6 [105144]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05110, task 741 5 [129113]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05496, task 839 7 [43243]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05365, task 789 5 [77200]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07155, task 1365 5 [94794]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07540, task 1511 7 [31124]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07797, task 1605 5 [67818]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06390, task 1079 7 [42289]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07283, task 1413 5 [81752]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06772, task 1223 7 [119130]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05624, task 870 6 [86855]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03063, task 341 5 [15899]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00634, task 52 4 [86158]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01016, task 102 6 [65247]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05109, task 726 6 [125852]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08055, task 1684 4 [111373]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07166, task 1398 6 [30442]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07926, task 1637 5 [96040]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04473, task 580 4 [121921]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07295, task 1444 4 [31200]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier03833, task 436 4 [119833]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07029, task 1348 4 [32889]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04855, task 676 4 [2631]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04727, task 644 4 [69774]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06261, task 1028 4 [2092]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07027, task 1316 4 [9851]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08699, task 1845 5 [24356]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06132, task 982 6 [106743]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06520, task 1124 4 [102789]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02807, task 308 4 [86420]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier09081, task 1941 5 [26617]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04346, task 550 6 [98827]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08181, task 1700 4 [127094]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01530, task 165 5 [58514]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier00764, task 68 4 [93318]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier01918, task 214 6 [89313]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01273, task 134 6 [93161]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06010, task 950 6 [57211]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08438, task 1765 5 [30532]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07028, task 1334 6 [53656]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10228, task 1956 4 [88311]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier08185, task 1718 6 [34146]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07545, task 1524 4 [85842]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier10363, task 2006 6 [86877]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10363, task 2007 7 [86878]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06391, task 1094 6 [7914]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07671, task 1573 5 [3807]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03321, task 372 4 [66539]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier02937, task 325 5 [86009]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06773, task 1236 4 [114907]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06903, task 1284 4 [29606]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07156, task 1382 6 [23410]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00512, task 35 3 [46816]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05366, task 805 5 [99825]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03707, task 419 3 [60958]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06645, task 1188 4 [70660]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier07413, task 1475 3 [12580]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier04854, task 660 4 [54433]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04090, task 469 5 [28764]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02427, task 275 3 [77761]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier06133, task 996 4 [45568]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06262, task 1043 3 [60259]: mask 0xe000000000000000e000000 set
cpu-bind=MASK - frontier05752, task 901 5 [104739]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04598, task 613 5 [100763]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10485, task 2024 8 [71678]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05242, task 777 9 [51546]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08307, task 1736 8 [79432]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05495, task 825 9 [49347]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06774, task 1256 8 [58291]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08827, task 1880 8 [66021]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05877, task 920 8 [123339]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07548, task 1543 7 [88001]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06904, task 1303 7 [57524]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06011, task 966 6 [99534]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02680, task 295 7 [75085]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07674, task 1590 6 [16952]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04726, task 630 6 [118422]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02170, task 247 7 [129593]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01401, task 152 8 [19368]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03959, task 456 8 [50343]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07667, task 1558 6 [130059]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03192, task 358 6 [16017]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02299, task 262 6 [107422]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08947, task 1896 8 [96682]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07930, task 1655 7 [76398]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07412, task 1462 6 [11091]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00380, task 24 8 [72232]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05751, task 888 8 [3849]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10488, task 2041 9 [10447]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01144, task 120 8 [104331]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06644, task 1174 6 [31760]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06902, task 1272 8 [34886]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03575, task 407 7 [128627]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04214, task 504 8 [9821]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05241, task 759 7 [25889]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08823, task 1864 8 [49909]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04984, task 713 9 [13586]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08567, task 1814 6 [120675]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00891, task 88 8 [41541]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04472, task 566 6 [66550]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05623, task 854 6 [121269]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06521, task 1142 6 [55906]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02044, task 232 8 [24707]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08951, task 1912 8 [85765]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07801, task 1623 7 [25616]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04215, task 518 6 [123307]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01660, task 183 7 [117603]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08051, task 1670 6 [5592]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07284, task 1431 7 [45775]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01784, task 200 8 [71930]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06646, task 1206 6 [117219]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06392, task 1112 8 [10627]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07419, task 1494 6 [72072]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08442, task 1783 7 [77690]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08695, task 1830 6 [120917]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10232, task 1975 7 [41110]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier09077, task 1928 8 [125508]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03447, task 390 6 [128525]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00120, task 6 6 [15782]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06522, task 1158 6 [3207]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04091, task 487 7 [36010]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06134, task 1014 6 [122202]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04345, task 534 6 [66500]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06263, task 1062 6 [126501]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04983, task 694 6 [66302]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08563, task 1798 6 [117362]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05878, task 934 6 [70746]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08311, task 1750 6 [95325]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04597, task 598 6 [89962]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10359, task 1991 7 [105145]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05110, task 742 6 [129114]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05496, task 840 8 [43244]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05365, task 790 6 [77201]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07155, task 1366 6 [94795]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07540, task 1512 8 [31125]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07797, task 1606 6 [67819]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06390, task 1080 8 [42290]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07283, task 1414 6 [81753]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06772, task 1224 8 [119131]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05624, task 871 7 [86856]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03063, task 342 6 [15900]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00634, task 53 5 [86159]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01016, task 103 7 [65248]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05109, task 727 7 [125853]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08055, task 1685 5 [111374]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07166, task 1399 7 [30443]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07926, task 1638 6 [96041]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04473, task 581 5 [121922]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07295, task 1445 5 [31201]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier03833, task 437 5 [119834]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07029, task 1349 5 [32890]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04855, task 677 5 [2632]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04727, task 645 5 [69775]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06261, task 1029 5 [2093]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07027, task 1317 5 [9852]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08699, task 1846 6 [24357]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06132, task 983 7 [106744]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06520, task 1125 5 [102790]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02807, task 309 5 [86421]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier09081, task 1942 6 [26618]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04346, task 551 7 [98828]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08181, task 1701 5 [127095]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01530, task 166 6 [58515]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier00764, task 69 5 [93319]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier01918, task 215 7 [89314]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01273, task 135 7 [93162]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06010, task 951 7 [57212]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08438, task 1766 6 [30533]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07028, task 1335 7 [53657]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10228, task 1957 5 [88312]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier08185, task 1719 7 [34147]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07545, task 1525 5 [85843]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier10363, task 2008 8 [86879]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06391, task 1095 7 [7915]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07671, task 1574 6 [3808]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03321, task 373 5 [66540]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier02937, task 326 6 [86010]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06773, task 1237 5 [114908]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06903, task 1285 5 [29607]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07156, task 1383 7 [23411]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00512, task 36 4 [46817]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05366, task 806 6 [99826]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03707, task 420 4 [60959]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06645, task 1189 5 [70661]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier07413, task 1476 4 [12581]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier04854, task 661 5 [54434]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04090, task 470 6 [28765]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02427, task 276 4 [77762]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier06133, task 997 5 [45569]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06262, task 1044 4 [60260]: mask 0xe000000000000000e00000000 set
cpu-bind=MASK - frontier05752, task 902 6 [104740]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04598, task 614 6 [100764]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10485, task 2025 9 [71679]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05242, task 778 10 [51547]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08307, task 1737 9 [79433]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05495, task 826 10 [49348]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06774, task 1257 9 [58292]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08827, task 1881 9 [66022]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05877, task 921 9 [123340]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07548, task 1544 8 [88002]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06904, task 1304 8 [57525]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06011, task 967 7 [99535]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02680, task 296 8 [75086]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07674, task 1591 7 [16953]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04726, task 631 7 [118423]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02170, task 248 8 [129594]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01401, task 153 9 [19369]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03959, task 457 9 [50344]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07667, task 1559 7 [130060]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03192, task 359 7 [16018]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02299, task 263 7 [107423]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08947, task 1897 9 [96683]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07930, task 1656 8 [76399]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07412, task 1463 7 [11092]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00380, task 25 9 [72233]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05751, task 889 9 [3850]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10488, task 2042 10 [10448]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01144, task 121 9 [104332]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06644, task 1175 7 [31761]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06902, task 1273 9 [34887]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03575, task 408 8 [128628]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04214, task 505 9 [9822]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05241, task 760 8 [25890]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08823, task 1865 9 [49910]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04984, task 714 10 [13587]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08567, task 1815 7 [120676]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00891, task 89 9 [41542]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04472, task 567 7 [66551]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05623, task 855 7 [121270]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06521, task 1143 7 [55907]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02044, task 233 9 [24708]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08951, task 1913 9 [85766]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07801, task 1624 8 [25617]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04215, task 519 7 [123308]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01660, task 184 8 [117604]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08051, task 1671 7 [5593]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07284, task 1432 8 [45776]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01784, task 201 9 [71931]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06646, task 1207 7 [117220]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06392, task 1113 9 [10628]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07419, task 1495 7 [72073]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08442, task 1784 8 [77691]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08695, task 1831 7 [120918]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10232, task 1976 8 [41111]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier09077, task 1929 9 [125509]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03447, task 391 7 [128526]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00120, task 7 7 [15783]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06522, task 1159 7 [3208]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04091, task 488 8 [36011]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06134, task 1015 7 [122203]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04345, task 535 7 [66501]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06263, task 1063 7 [126502]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04983, task 695 7 [66303]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08563, task 1799 7 [117363]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05878, task 935 7 [70747]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08311, task 1751 7 [95326]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04597, task 599 7 [89963]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10359, task 1992 8 [105146]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05110, task 743 7 [129115]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05496, task 841 9 [43245]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05365, task 791 7 [77202]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07155, task 1367 7 [94796]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07540, task 1513 9 [31126]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07797, task 1607 7 [67820]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06390, task 1081 9 [42291]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07283, task 1415 7 [81754]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06772, task 1225 9 [119132]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05624, task 872 8 [86857]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03063, task 343 7 [15901]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00634, task 54 6 [86160]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01016, task 104 8 [65249]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05109, task 728 8 [125854]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08055, task 1686 6 [111375]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07166, task 1400 8 [30444]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07926, task 1639 7 [96042]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04473, task 582 6 [121923]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07295, task 1446 6 [31202]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier03833, task 438 6 [119835]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07029, task 1350 6 [32891]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04855, task 678 6 [2633]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04727, task 646 6 [69776]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06261, task 1030 6 [2094]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07027, task 1318 6 [9853]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08699, task 1847 7 [24358]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06132, task 984 8 [106745]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06520, task 1126 6 [102791]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02807, task 310 6 [86422]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier09081, task 1943 7 [26619]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04346, task 552 8 [98829]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08181, task 1702 6 [127096]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01530, task 167 7 [58516]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier00764, task 70 6 [93320]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier01918, task 216 8 [89315]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01273, task 136 8 [93163]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06010, task 952 8 [57213]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08438, task 1767 7 [30534]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07028, task 1336 8 [53658]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10228, task 1958 6 [88313]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier08185, task 1720 8 [34148]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07545, task 1526 6 [85844]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier10363, task 2009 9 [86881]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06391, task 1096 8 [7916]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07671, task 1575 7 [3809]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03321, task 374 6 [66541]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier02937, task 327 7 [86011]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06773, task 1238 6 [114909]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06903, task 1286 6 [29608]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07156, task 1384 8 [23412]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00512, task 37 5 [46818]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05366, task 807 7 [99827]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03707, task 421 5 [60960]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06645, task 1190 6 [70662]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier07413, task 1477 5 [12582]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier04854, task 662 6 [54435]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04090, task 471 7 [28766]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02427, task 277 5 [77763]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier06133, task 998 6 [45570]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06262, task 1045 5 [60261]: mask 0xe000000000000000e0000000000 set
cpu-bind=MASK - frontier05752, task 903 7 [104741]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04598, task 615 7 [100765]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10485, task 2026 10 [71680]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05242, task 779 11 [51548]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08307, task 1738 10 [79434]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05495, task 827 11 [49349]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06774, task 1258 10 [58293]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08827, task 1882 10 [66023]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05877, task 922 10 [123341]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07548, task 1545 9 [88003]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06904, task 1305 9 [57526]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06011, task 968 8 [99536]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02680, task 297 9 [75087]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07674, task 1592 8 [16954]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04726, task 632 8 [118424]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02170, task 249 9 [129595]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01401, task 154 10 [19370]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03959, task 458 10 [50345]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07667, task 1560 8 [130061]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03192, task 360 8 [16019]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02299, task 264 8 [107424]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08947, task 1898 10 [96684]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07930, task 1657 9 [76400]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07412, task 1464 8 [11093]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00380, task 26 10 [72234]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05751, task 890 10 [3851]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10488, task 2043 11 [10449]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01144, task 122 10 [104333]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06644, task 1176 8 [31762]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06902, task 1274 10 [34888]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03575, task 409 9 [128629]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04214, task 506 10 [9823]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05241, task 761 9 [25891]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08823, task 1866 10 [49911]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04984, task 715 11 [13588]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08567, task 1816 8 [120677]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00891, task 90 10 [41543]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04472, task 568 8 [66552]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05623, task 856 8 [121271]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06521, task 1144 8 [55908]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02044, task 234 10 [24709]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08951, task 1914 10 [85767]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07801, task 1625 9 [25618]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04215, task 520 8 [123309]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01660, task 185 9 [117605]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08051, task 1672 8 [5594]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07284, task 1433 9 [45777]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01784, task 202 10 [71932]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06646, task 1208 8 [117221]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06392, task 1114 10 [10629]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07419, task 1496 8 [72074]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08442, task 1785 9 [77692]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08695, task 1832 8 [120919]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10232, task 1977 9 [41112]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier09077, task 1930 10 [125510]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03447, task 392 8 [128527]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00120, task 8 8 [15784]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06522, task 1160 8 [3209]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04091, task 489 9 [36012]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06134, task 1016 8 [122204]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04345, task 536 8 [66502]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06263, task 1064 8 [126503]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04983, task 696 8 [66304]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08563, task 1800 8 [117364]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05878, task 936 8 [70748]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08311, task 1752 8 [95327]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04597, task 600 8 [89964]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10359, task 1993 9 [105147]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05110, task 744 8 [129116]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05496, task 842 10 [43246]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05365, task 792 8 [77203]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07155, task 1368 8 [94797]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07540, task 1514 10 [31127]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07797, task 1608 8 [67821]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06390, task 1082 10 [42292]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07283, task 1416 8 [81755]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06772, task 1226 10 [119133]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05624, task 873 9 [86858]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03063, task 344 8 [15902]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00634, task 55 7 [86161]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01016, task 105 9 [65250]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05109, task 729 9 [125855]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08055, task 1687 7 [111376]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07166, task 1401 9 [30445]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07926, task 1640 8 [96043]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04473, task 583 7 [121924]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07295, task 1447 7 [31203]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier03833, task 439 7 [119836]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07029, task 1351 7 [32892]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04855, task 679 7 [2634]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04727, task 647 7 [69777]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06261, task 1031 7 [2095]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07027, task 1319 7 [9854]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08699, task 1848 8 [24359]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06132, task 985 9 [106746]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06520, task 1127 7 [102792]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02807, task 311 7 [86423]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier09081, task 1944 8 [26620]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04346, task 553 9 [98830]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08181, task 1703 7 [127097]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01530, task 168 8 [58517]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier00764, task 71 7 [93321]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier01918, task 217 9 [89316]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01273, task 137 9 [93164]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06010, task 953 9 [57214]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08438, task 1768 8 [30535]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07028, task 1337 9 [53659]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10228, task 1959 7 [88314]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier08185, task 1721 9 [34149]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07545, task 1527 7 [85845]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier10363, task 2010 10 [86882]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06391, task 1097 9 [7917]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07671, task 1576 8 [3810]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03321, task 375 7 [66542]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier02937, task 328 8 [86012]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06773, task 1239 7 [114910]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06903, task 1287 7 [29609]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07156, task 1385 9 [23413]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00512, task 38 6 [46819]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05366, task 808 8 [99828]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03707, task 422 6 [60961]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06645, task 1191 7 [70663]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier07413, task 1478 6 [12583]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier04854, task 663 7 [54436]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04090, task 472 8 [28767]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02427, task 278 6 [77764]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier06133, task 999 7 [45571]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06262, task 1046 6 [60262]: mask 0xe000000000000000e000000000000 set
cpu-bind=MASK - frontier05752, task 904 8 [104742]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04598, task 616 8 [100766]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10485, task 2027 11 [71681]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05242, task 780 12 [51549]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08307, task 1739 11 [79435]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05495, task 828 12 [49350]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06774, task 1259 11 [58294]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08827, task 1883 11 [66024]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05877, task 923 11 [123342]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07548, task 1546 10 [88004]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06904, task 1306 10 [57527]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06011, task 969 9 [99537]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02680, task 298 10 [75088]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07674, task 1593 9 [16955]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04726, task 633 9 [118425]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02170, task 250 10 [129596]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01401, task 155 11 [19371]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03959, task 459 11 [50346]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07667, task 1561 9 [130062]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03192, task 361 9 [16020]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02299, task 265 9 [107425]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08947, task 1899 11 [96685]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07930, task 1658 10 [76401]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07412, task 1465 9 [11094]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00380, task 27 11 [72235]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05751, task 891 11 [3852]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10488, task 2044 12 [10450]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01144, task 123 11 [104334]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06644, task 1177 9 [31763]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06902, task 1275 11 [34889]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03575, task 410 10 [128630]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04214, task 507 11 [9824]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05241, task 762 10 [25892]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08823, task 1867 11 [49912]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04984, task 716 12 [13589]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08567, task 1817 9 [120678]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00891, task 91 11 [41544]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04472, task 569 9 [66553]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05623, task 857 9 [121272]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06521, task 1145 9 [55909]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02044, task 235 11 [24710]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08951, task 1915 11 [85768]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07801, task 1626 10 [25619]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04215, task 521 9 [123310]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01660, task 186 10 [117606]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08051, task 1673 9 [5595]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07284, task 1434 10 [45778]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01784, task 203 11 [71933]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06646, task 1209 9 [117222]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06392, task 1115 11 [10630]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07419, task 1497 9 [72075]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08442, task 1786 10 [77693]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08695, task 1833 9 [120920]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10232, task 1978 10 [41113]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier09077, task 1931 11 [125511]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03447, task 393 9 [128528]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00120, task 9 9 [15785]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06522, task 1161 9 [3210]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04091, task 490 10 [36013]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06134, task 1017 9 [122205]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04345, task 537 9 [66503]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06263, task 1065 9 [126504]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04983, task 697 9 [66305]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08563, task 1801 9 [117365]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05878, task 937 9 [70749]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08311, task 1753 9 [95328]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04597, task 601 9 [89965]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10359, task 1994 10 [105148]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05110, task 745 9 [129117]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05496, task 843 11 [43247]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05365, task 793 9 [77204]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07155, task 1369 9 [94798]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07540, task 1515 11 [31128]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07797, task 1609 9 [67822]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06390, task 1083 11 [42293]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07283, task 1417 9 [81756]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06772, task 1227 11 [119134]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05624, task 874 10 [86859]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03063, task 345 9 [15903]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00634, task 56 8 [86162]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01016, task 106 10 [65251]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05109, task 730 10 [125856]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08055, task 1688 8 [111377]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07166, task 1402 10 [30446]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07926, task 1641 9 [96044]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04473, task 584 8 [121925]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07295, task 1448 8 [31204]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier03833, task 440 8 [119837]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07029, task 1352 8 [32893]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04855, task 680 8 [2635]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04727, task 648 8 [69778]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06261, task 1032 8 [2096]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07027, task 1320 8 [9855]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08699, task 1849 9 [24360]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06132, task 986 10 [106747]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06520, task 1128 8 [102793]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02807, task 312 8 [86424]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier09081, task 1945 9 [26621]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04346, task 554 10 [98831]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08181, task 1704 8 [127098]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01530, task 169 9 [58518]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier00764, task 72 8 [93322]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier01918, task 218 10 [89317]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01273, task 138 10 [93165]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06010, task 954 10 [57215]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08438, task 1769 9 [30536]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07028, task 1338 10 [53660]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10228, task 1960 8 [88315]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier08185, task 1722 10 [34150]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07545, task 1528 8 [85846]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier10363, task 2011 11 [86883]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06391, task 1098 10 [7918]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07671, task 1577 9 [3811]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03321, task 376 8 [66543]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier02937, task 329 9 [86013]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06773, task 1240 8 [114911]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06903, task 1288 8 [29610]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07156, task 1386 10 [23414]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00512, task 39 7 [46820]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05366, task 809 9 [99829]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03707, task 423 7 [60962]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06645, task 1192 8 [70664]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier07413, task 1479 7 [12584]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier04854, task 664 8 [54437]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04090, task 473 9 [28768]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02427, task 279 7 [77765]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier06133, task 1000 8 [45572]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06262, task 1047 7 [60263]: mask 0xe000000000000000e00000000000000 set
cpu-bind=MASK - frontier05752, task 905 9 [104743]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04598, task 617 9 [100767]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10485, task 2028 12 [71682]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05242, task 781 13 [51550]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08307, task 1740 12 [79436]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05495, task 829 13 [49351]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06774, task 1260 12 [58295]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08827, task 1884 12 [66025]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05877, task 924 12 [123343]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07548, task 1547 11 [88005]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06904, task 1307 11 [57528]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06011, task 970 10 [99538]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02680, task 299 11 [75089]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07674, task 1594 10 [16956]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04726, task 634 10 [118426]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02170, task 251 11 [129597]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01401, task 156 12 [19372]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03959, task 460 12 [50347]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07667, task 1562 10 [130063]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03192, task 362 10 [16021]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02299, task 266 10 [107426]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08947, task 1900 12 [96686]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07930, task 1659 11 [76402]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07412, task 1466 10 [11095]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00380, task 28 12 [72236]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05751, task 892 12 [3853]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10488, task 2045 13 [10451]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01144, task 124 12 [104335]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06644, task 1178 10 [31764]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06902, task 1276 12 [34890]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03575, task 411 11 [128631]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04214, task 508 12 [9825]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05241, task 763 11 [25893]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08823, task 1868 12 [49913]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04984, task 717 13 [13590]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08567, task 1818 10 [120679]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00891, task 92 12 [41545]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04472, task 570 10 [66554]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05623, task 858 10 [121273]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06521, task 1146 10 [55910]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02044, task 236 12 [24711]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08951, task 1916 12 [85769]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07801, task 1627 11 [25620]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04215, task 522 10 [123311]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01660, task 187 11 [117607]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08051, task 1674 10 [5596]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07284, task 1435 11 [45779]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01784, task 204 12 [71934]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06646, task 1210 10 [117223]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06392, task 1116 12 [10631]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07419, task 1498 10 [72076]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08442, task 1787 11 [77694]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08695, task 1834 10 [120921]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10232, task 1979 11 [41114]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier09077, task 1932 12 [125512]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03447, task 394 10 [128529]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00120, task 10 10 [15786]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06522, task 1162 10 [3211]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04091, task 491 11 [36014]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06134, task 1018 10 [122206]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04345, task 538 10 [66504]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06263, task 1066 10 [126505]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04983, task 698 10 [66306]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08563, task 1802 10 [117366]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05878, task 938 10 [70750]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08311, task 1754 10 [95329]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04597, task 602 10 [89966]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10359, task 1995 11 [105149]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05110, task 746 10 [129118]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05496, task 844 12 [43248]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05365, task 794 10 [77205]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07155, task 1370 10 [94799]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07540, task 1516 12 [31129]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07797, task 1610 10 [67823]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06390, task 1084 12 [42294]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07283, task 1418 10 [81757]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06772, task 1228 12 [119135]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05624, task 875 11 [86860]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03063, task 346 10 [15904]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00634, task 57 9 [86163]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01016, task 107 11 [65252]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05109, task 731 11 [125857]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08055, task 1689 9 [111378]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07166, task 1403 11 [30447]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07926, task 1642 10 [96045]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04473, task 585 9 [121926]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07295, task 1449 9 [31205]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier03833, task 441 9 [119838]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07029, task 1353 9 [32894]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04855, task 681 9 [2636]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04727, task 649 9 [69779]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06261, task 1033 9 [2097]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07027, task 1321 9 [9856]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08699, task 1850 10 [24361]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06132, task 987 11 [106748]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06520, task 1129 9 [102794]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02807, task 313 9 [86425]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier09081, task 1946 10 [26622]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04346, task 555 11 [98832]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08181, task 1705 9 [127099]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01530, task 170 10 [58519]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier00764, task 73 9 [93323]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier01918, task 219 11 [89318]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01273, task 139 11 [93166]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06010, task 955 11 [57216]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08438, task 1770 10 [30537]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07028, task 1339 11 [53661]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10228, task 1961 9 [88316]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier08185, task 1723 11 [34151]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07545, task 1529 9 [85847]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier10363, task 2012 12 [86884]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06391, task 1099 11 [7919]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07671, task 1578 10 [3812]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03321, task 377 9 [66544]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier02937, task 330 10 [86014]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06773, task 1241 9 [114912]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06903, task 1289 9 [29611]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07156, task 1387 11 [23415]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00512, task 40 8 [46821]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05366, task 810 10 [99830]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03707, task 424 8 [60963]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06645, task 1193 9 [70665]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier07413, task 1480 8 [12585]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier04854, task 665 9 [54438]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04090, task 474 10 [28769]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02427, task 280 8 [77766]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier06133, task 1001 9 [45573]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06262, task 1048 8 [60264]: mask 0x700000000000000070 set
cpu-bind=MASK - frontier05752, task 906 10 [104744]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04598, task 618 10 [100768]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10485, task 2029 13 [71683]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05242, task 782 14 [51551]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08307, task 1741 13 [79437]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05495, task 830 14 [49352]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06774, task 1261 13 [58296]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08827, task 1885 13 [66026]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05877, task 925 13 [123344]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07548, task 1548 12 [88006]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06904, task 1308 12 [57529]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06011, task 971 11 [99539]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02680, task 300 12 [75090]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07674, task 1595 11 [16957]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04726, task 635 11 [118427]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02170, task 252 12 [129598]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01401, task 157 13 [19373]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03959, task 461 13 [50348]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07667, task 1563 11 [130064]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03192, task 363 11 [16022]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02299, task 267 11 [107427]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08947, task 1901 13 [96687]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07930, task 1660 12 [76403]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07412, task 1467 11 [11096]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00380, task 29 13 [72237]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05751, task 893 13 [3854]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier10488, task 2046 14 [10452]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01144, task 125 13 [104336]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06644, task 1179 11 [31765]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06902, task 1277 13 [34891]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03575, task 412 12 [128632]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04214, task 509 13 [9826]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05241, task 764 12 [25894]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08823, task 1869 13 [49914]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04984, task 718 14 [13591]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08567, task 1819 11 [120680]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00891, task 93 13 [41546]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04472, task 571 11 [66555]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05623, task 859 11 [121274]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06521, task 1147 11 [55911]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02044, task 237 13 [24712]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08951, task 1917 13 [85770]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07801, task 1628 12 [25621]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04215, task 523 11 [123312]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01660, task 188 12 [117608]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08051, task 1675 11 [5597]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07284, task 1436 12 [45780]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01784, task 205 13 [71935]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06646, task 1211 11 [117224]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06392, task 1117 13 [10632]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07419, task 1499 11 [72077]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08442, task 1788 12 [77695]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08695, task 1835 11 [120922]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10232, task 1980 12 [41115]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier09077, task 1933 13 [125513]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03447, task 395 11 [128530]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00120, task 11 11 [15787]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06522, task 1163 11 [3212]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04091, task 492 12 [36015]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06134, task 1019 11 [122207]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04345, task 539 11 [66505]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06263, task 1067 11 [126506]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04983, task 699 11 [66307]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08563, task 1803 11 [117367]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05878, task 939 11 [70751]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08311, task 1755 11 [95330]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04597, task 603 11 [89967]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10359, task 1996 12 [105150]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05110, task 747 11 [129119]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05496, task 845 13 [43249]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05365, task 795 11 [77206]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07155, task 1371 11 [94800]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07540, task 1517 13 [31130]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07797, task 1611 11 [67824]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06390, task 1085 13 [42295]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07283, task 1419 11 [81758]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06772, task 1229 13 [119136]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05624, task 876 12 [86861]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03063, task 347 11 [15905]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00634, task 58 10 [86164]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01016, task 108 12 [65253]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05109, task 732 12 [125858]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08055, task 1690 10 [111379]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07166, task 1404 12 [30448]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07926, task 1643 11 [96046]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04473, task 586 10 [121927]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07295, task 1450 10 [31206]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier03833, task 442 10 [119839]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07029, task 1354 10 [32895]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04855, task 682 10 [2637]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04727, task 650 10 [69780]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06261, task 1034 10 [2098]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07027, task 1322 10 [9857]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08699, task 1851 11 [24362]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06132, task 988 12 [106749]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06520, task 1130 10 [102795]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02807, task 314 10 [86426]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier09081, task 1947 11 [26623]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04346, task 556 12 [98833]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08181, task 1706 10 [127100]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01530, task 171 11 [58520]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier00764, task 74 10 [93324]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier01918, task 220 12 [89319]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01273, task 140 12 [93167]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06010, task 956 12 [57217]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08438, task 1771 11 [30538]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07028, task 1340 12 [53662]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10228, task 1962 10 [88317]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier08185, task 1724 12 [34152]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07545, task 1530 10 [85848]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier10363, task 2013 13 [86885]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06391, task 1100 12 [7920]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07671, task 1579 11 [3813]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03321, task 378 10 [66545]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier02937, task 331 11 [86015]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06773, task 1242 10 [114913]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06903, task 1290 10 [29612]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07156, task 1388 12 [23416]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00512, task 41 9 [46822]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05366, task 811 11 [99831]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03707, task 425 9 [60964]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06645, task 1194 10 [70666]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier07413, task 1481 9 [12586]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier04854, task 666 10 [54439]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04090, task 475 11 [28770]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02427, task 281 9 [77767]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier06133, task 1002 10 [45574]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06262, task 1049 9 [60265]: mask 0x70000000000000007000 set
cpu-bind=MASK - frontier05752, task 907 11 [104745]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04598, task 619 11 [100769]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10485, task 2030 14 [71684]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05242, task 783 15 [51552]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08307, task 1742 14 [79438]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05495, task 831 15 [49353]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06774, task 1262 14 [58297]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08827, task 1886 14 [66027]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05877, task 926 14 [123345]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07548, task 1549 13 [88007]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06904, task 1309 13 [57530]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06011, task 972 12 [99540]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02680, task 301 13 [75091]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07674, task 1596 12 [16958]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04726, task 636 12 [118428]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02170, task 253 13 [129599]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01401, task 158 14 [19374]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03959, task 462 14 [50349]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07667, task 1564 12 [130065]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03192, task 364 12 [16023]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02299, task 268 12 [107428]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08947, task 1902 14 [96688]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07930, task 1661 13 [76404]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07412, task 1468 12 [11097]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00380, task 30 14 [72238]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05751, task 894 14 [3855]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10488, task 2047 15 [10453]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01144, task 126 14 [104337]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06644, task 1180 12 [31766]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06902, task 1278 14 [34892]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03575, task 413 13 [128633]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04214, task 510 14 [9827]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05241, task 765 13 [25895]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08823, task 1870 14 [49915]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04984, task 719 15 [13592]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08567, task 1820 12 [120681]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00891, task 94 14 [41547]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04472, task 572 12 [66556]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05623, task 860 12 [121275]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06521, task 1148 12 [55912]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02044, task 238 14 [24713]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08951, task 1918 14 [85771]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07801, task 1629 13 [25622]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04215, task 524 12 [123313]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01660, task 189 13 [117609]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08051, task 1676 12 [5598]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07284, task 1437 13 [45781]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01784, task 206 14 [71936]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06646, task 1212 12 [117225]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06392, task 1118 14 [10633]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07419, task 1500 12 [72078]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08442, task 1789 13 [77696]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08695, task 1836 12 [120923]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10232, task 1981 13 [41116]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier09077, task 1934 14 [125514]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03447, task 396 12 [128531]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00120, task 12 12 [15788]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06522, task 1164 12 [3213]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04091, task 493 13 [36016]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06134, task 1020 12 [122208]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04345, task 540 12 [66506]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06263, task 1068 12 [126507]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04983, task 700 12 [66308]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08563, task 1804 12 [117368]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05878, task 940 12 [70752]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08311, task 1756 12 [95331]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04597, task 604 12 [89968]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10359, task 1997 13 [105151]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05110, task 748 12 [129120]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05496, task 846 14 [43250]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05365, task 796 12 [77207]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07155, task 1372 12 [94801]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07540, task 1518 14 [31131]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07797, task 1612 12 [67825]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06390, task 1086 14 [42296]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07283, task 1420 12 [81759]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06772, task 1230 14 [119137]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05624, task 877 13 [86862]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03063, task 348 12 [15906]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00634, task 59 11 [86165]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01016, task 109 13 [65254]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05109, task 733 13 [125859]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08055, task 1691 11 [111380]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07166, task 1405 13 [30449]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07926, task 1644 12 [96047]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04473, task 587 11 [121928]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07295, task 1451 11 [31207]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier03833, task 443 11 [119840]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07029, task 1355 11 [32896]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04855, task 683 11 [2638]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04727, task 651 11 [69781]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06261, task 1035 11 [2099]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07027, task 1323 11 [9858]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08699, task 1852 12 [24363]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06132, task 989 13 [106750]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06520, task 1131 11 [102796]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02807, task 315 11 [86427]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier09081, task 1948 12 [26624]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04346, task 557 13 [98834]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08181, task 1707 11 [127101]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01530, task 172 12 [58521]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier00764, task 75 11 [93325]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier01918, task 221 13 [89320]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01273, task 141 13 [93168]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06010, task 957 13 [57218]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08438, task 1772 12 [30539]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07028, task 1341 13 [53663]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier10228, task 1963 11 [88318]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier08185, task 1725 13 [34153]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07545, task 1531 11 [85849]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier10363, task 2014 14 [86886]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06391, task 1101 13 [7921]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07671, task 1580 12 [3815]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03321, task 379 11 [66546]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier02937, task 332 12 [86016]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06773, task 1243 11 [114914]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06903, task 1291 11 [29613]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07156, task 1389 13 [23417]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00512, task 42 10 [46823]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05366, task 812 12 [99832]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03707, task 426 10 [60965]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06645, task 1195 11 [70667]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier07413, task 1482 10 [12587]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier04854, task 667 11 [54440]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04090, task 476 12 [28771]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02427, task 282 10 [77768]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier06133, task 1003 11 [45575]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06262, task 1050 10 [60266]: mask 0x7000000000000000700000 set
cpu-bind=MASK - frontier05752, task 908 12 [104746]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04598, task 620 12 [100770]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10485, task 2031 15 [71685]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08307, task 1743 15 [79439]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06774, task 1263 15 [58298]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08827, task 1887 15 [66028]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05877, task 927 15 [123346]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07548, task 1550 14 [88008]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06904, task 1310 14 [57531]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06011, task 973 13 [99541]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02680, task 302 14 [75092]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07674, task 1597 13 [16959]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04726, task 637 13 [118429]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02170, task 254 14 [129600]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01401, task 159 15 [19375]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03959, task 463 15 [50350]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07667, task 1565 13 [130066]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03192, task 365 13 [16024]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02299, task 269 13 [107429]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08947, task 1903 15 [96689]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07930, task 1662 14 [76405]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07412, task 1469 13 [11098]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00380, task 31 15 [72239]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05751, task 895 15 [3856]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01144, task 127 15 [104338]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06644, task 1181 13 [31767]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06902, task 1279 15 [34893]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03575, task 414 14 [128634]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04214, task 511 15 [9828]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05241, task 766 14 [25896]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08823, task 1871 15 [49916]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08567, task 1821 13 [120682]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00891, task 95 15 [41548]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04472, task 573 13 [66557]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05623, task 861 13 [121276]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06521, task 1149 13 [55913]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02044, task 239 15 [24714]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08951, task 1919 15 [85772]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07801, task 1630 14 [25623]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04215, task 525 13 [123314]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01660, task 190 14 [117610]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08051, task 1677 13 [5599]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07284, task 1438 14 [45782]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01784, task 207 15 [71937]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06646, task 1213 13 [117226]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06392, task 1119 15 [10634]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07419, task 1501 13 [72079]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08442, task 1790 14 [77697]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08695, task 1837 13 [120924]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier10232, task 1982 14 [41117]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier09077, task 1935 15 [125515]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03447, task 397 13 [128532]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00120, task 13 13 [15789]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06522, task 1165 13 [3214]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04091, task 494 14 [36017]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06134, task 1021 13 [122209]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04345, task 541 13 [66507]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06263, task 1069 13 [126508]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04983, task 701 13 [66309]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08563, task 1805 13 [117369]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05878, task 941 13 [70753]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08311, task 1757 13 [95332]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04597, task 605 13 [89969]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier10359, task 1998 14 [105152]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05110, task 749 13 [129121]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05496, task 847 15 [43251]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05365, task 797 13 [77208]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07155, task 1373 13 [94802]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07540, task 1519 15 [31132]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07797, task 1613 13 [67826]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06390, task 1087 15 [42297]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07283, task 1421 13 [81760]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06772, task 1231 15 [119138]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05624, task 878 14 [86863]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03063, task 349 13 [15907]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00634, task 60 12 [86166]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01016, task 110 14 [65255]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05109, task 734 14 [125860]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08055, task 1692 12 [111381]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07166, task 1406 14 [30450]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07926, task 1645 13 [96048]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04473, task 588 12 [121929]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07295, task 1452 12 [31208]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier03833, task 444 12 [119841]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07029, task 1356 12 [32897]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04855, task 684 12 [2639]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04727, task 652 12 [69782]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06261, task 1036 12 [2100]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07027, task 1324 12 [9859]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08699, task 1853 13 [24364]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06132, task 990 14 [106751]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06520, task 1132 12 [102797]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02807, task 316 12 [86428]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier09081, task 1949 13 [26625]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04346, task 558 14 [98835]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08181, task 1708 12 [127102]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01530, task 173 13 [58522]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier00764, task 76 12 [93326]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier01918, task 222 14 [89321]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01273, task 142 14 [93169]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06010, task 958 14 [57219]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08438, task 1773 13 [30540]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07028, task 1342 14 [53664]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10228, task 1964 12 [88319]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier08185, task 1726 14 [34154]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07545, task 1532 12 [85850]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier10363, task 2015 15 [86887]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06391, task 1102 14 [7922]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07671, task 1581 13 [3818]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03321, task 380 12 [66547]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier02937, task 333 13 [86017]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06773, task 1244 12 [114915]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06903, task 1292 12 [29614]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07156, task 1390 14 [23418]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00512, task 43 11 [46824]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05366, task 813 13 [99833]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03707, task 427 11 [60966]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06645, task 1196 12 [70668]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier07413, task 1483 11 [12588]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier04854, task 668 12 [54441]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04090, task 477 13 [28772]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02427, task 283 11 [77769]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier06133, task 1004 12 [45576]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06262, task 1051 11 [60267]: mask 0x700000000000000070000000 set
cpu-bind=MASK - frontier05752, task 909 13 [104747]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04598, task 621 13 [100771]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07548, task 1551 15 [88009]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06904, task 1311 15 [57532]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06011, task 974 14 [99542]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02680, task 303 15 [75093]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07674, task 1598 14 [16960]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04726, task 638 14 [118430]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02170, task 255 15 [129601]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07667, task 1566 14 [130067]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03192, task 366 14 [16025]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02299, task 270 14 [107430]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07930, task 1663 15 [76406]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07412, task 1470 14 [11099]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06644, task 1182 14 [31768]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03575, task 415 15 [128635]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05241, task 767 15 [25897]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08567, task 1822 14 [120683]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04472, task 574 14 [66558]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05623, task 862 14 [121277]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06521, task 1150 14 [55914]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07801, task 1631 15 [25624]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04215, task 526 14 [123315]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01660, task 191 15 [117611]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08051, task 1678 14 [5600]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07284, task 1439 15 [45783]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06646, task 1214 14 [117227]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07419, task 1502 14 [72080]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08442, task 1791 15 [77698]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08695, task 1838 14 [120925]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10232, task 1983 15 [41118]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03447, task 398 14 [128533]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00120, task 14 14 [15790]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06522, task 1166 14 [3215]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04091, task 495 15 [36018]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06134, task 1022 14 [122210]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04345, task 542 14 [66508]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06263, task 1070 14 [126509]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04983, task 702 14 [66310]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08563, task 1806 14 [117370]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05878, task 942 14 [70754]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08311, task 1758 14 [95333]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04597, task 606 14 [89970]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier10359, task 1999 15 [105153]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05110, task 750 14 [129122]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05365, task 798 14 [77209]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07155, task 1374 14 [94803]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07797, task 1614 14 [67827]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07283, task 1422 14 [81761]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier05624, task 879 15 [86864]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03063, task 350 14 [15908]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00634, task 61 13 [86167]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01016, task 111 15 [65256]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05109, task 735 15 [125861]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08055, task 1693 13 [111382]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07166, task 1407 15 [30451]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07926, task 1646 14 [96049]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04473, task 589 13 [121930]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07295, task 1453 13 [31209]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier03833, task 445 13 [119842]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07029, task 1357 13 [32898]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04855, task 685 13 [2640]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04727, task 653 13 [69783]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06261, task 1037 13 [2101]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07027, task 1325 13 [9860]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08699, task 1854 14 [24365]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06132, task 991 15 [106752]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06520, task 1133 13 [102798]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02807, task 317 13 [86429]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier09081, task 1950 14 [26626]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04346, task 559 15 [98836]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08181, task 1709 13 [127103]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01530, task 174 14 [58523]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00764, task 77 13 [93327]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier01918, task 223 15 [89322]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier01273, task 143 15 [93170]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06010, task 959 15 [57220]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08438, task 1774 14 [30541]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07028, task 1343 15 [53665]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10228, task 1965 13 [88320]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier08185, task 1727 15 [34155]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07545, task 1533 13 [85851]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06391, task 1103 15 [7923]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07671, task 1582 14 [3819]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03321, task 381 13 [66548]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier02937, task 334 14 [86018]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06773, task 1245 13 [114916]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06903, task 1293 13 [29615]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07156, task 1391 15 [23419]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00512, task 44 12 [46825]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05366, task 814 14 [99834]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03707, task 428 12 [60967]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06645, task 1197 13 [70669]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier07413, task 1484 12 [12589]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier04854, task 669 13 [54442]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04090, task 478 14 [28773]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02427, task 284 12 [77770]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier06133, task 1005 13 [45577]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06262, task 1052 12 [60268]: mask 0x70000000000000007000000000 set
cpu-bind=MASK - frontier05752, task 910 14 [104748]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04598, task 622 14 [100772]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06011, task 975 15 [99543]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07674, task 1599 15 [16961]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04726, task 639 15 [118431]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07667, task 1567 15 [130068]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03192, task 367 15 [16026]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02299, task 271 15 [107431]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07412, task 1471 15 [11100]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06644, task 1183 15 [31769]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08567, task 1823 15 [120684]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04472, task 575 15 [66559]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05623, task 863 15 [121278]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06521, task 1151 15 [55915]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04215, task 527 15 [123316]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08051, task 1679 15 [5601]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06646, task 1215 15 [117228]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07419, task 1503 15 [72081]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08695, task 1839 15 [120926]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03447, task 399 15 [128534]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00120, task 15 15 [15791]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06522, task 1167 15 [3216]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06134, task 1023 15 [122211]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04345, task 543 15 [66509]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06263, task 1071 15 [126510]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04983, task 703 15 [66311]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08563, task 1807 15 [117371]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05878, task 943 15 [70755]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08311, task 1759 15 [95334]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04597, task 607 15 [89971]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05110, task 751 15 [129123]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier05365, task 799 15 [77210]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07155, task 1375 15 [94804]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07797, task 1615 15 [67828]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07283, task 1423 15 [81762]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03063, task 351 15 [15909]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00634, task 62 14 [86168]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08055, task 1694 14 [111383]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07926, task 1647 15 [96050]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04473, task 590 14 [121931]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07295, task 1454 14 [31210]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03833, task 446 14 [119843]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07029, task 1358 14 [32899]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04855, task 686 14 [2641]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04727, task 654 14 [69784]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06261, task 1038 14 [2102]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07027, task 1326 14 [9861]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08699, task 1855 15 [24366]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06520, task 1134 14 [102799]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02807, task 318 14 [86430]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier09081, task 1951 15 [26627]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08181, task 1710 14 [127104]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier01530, task 175 15 [58524]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00764, task 78 14 [93328]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier08438, task 1775 15 [30542]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10228, task 1966 14 [88321]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07545, task 1534 14 [85852]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07671, task 1583 15 [3820]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03321, task 382 14 [66549]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier02937, task 335 15 [86019]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06773, task 1246 14 [114917]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06903, task 1294 14 [29616]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00512, task 45 13 [46826]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05366, task 815 15 [99835]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03707, task 429 13 [60968]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06645, task 1198 14 [70670]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier07413, task 1485 13 [12590]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier04854, task 670 14 [54443]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04090, task 479 15 [28774]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02427, task 285 13 [77771]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier06133, task 1006 14 [45578]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06262, task 1053 13 [60269]: mask 0x7000000000000000700000000000 set
cpu-bind=MASK - frontier05752, task 911 15 [104749]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04598, task 623 15 [100773]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00634, task 63 15 [86169]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08055, task 1695 15 [111384]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04473, task 591 15 [121932]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07295, task 1455 15 [31211]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03833, task 447 15 [119844]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07029, task 1359 15 [32900]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04855, task 687 15 [2642]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier04727, task 655 15 [69785]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06261, task 1039 15 [2103]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07027, task 1327 15 [9862]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06520, task 1135 15 [102800]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02807, task 319 15 [86431]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier08181, task 1711 15 [127105]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00764, task 79 15 [93329]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier10228, task 1967 15 [88322]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07545, task 1535 15 [85853]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03321, task 383 15 [66550]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06773, task 1247 15 [114918]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06903, task 1295 15 [29617]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier00512, task 46 14 [46827]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier03707, task 430 14 [60969]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06645, task 1199 15 [70671]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07413, task 1486 14 [12591]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier04854, task 671 15 [54444]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02427, task 286 14 [77772]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier06133, task 1007 15 [45579]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06262, task 1054 14 [60270]: mask 0x700000000000000070000000000000 set
cpu-bind=MASK - frontier00512, task 47 15 [46828]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier03707, task 431 15 [60970]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier07413, task 1487 15 [12592]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier02427, task 287 15 [77773]: mask 0x70000000000000007000000000000000 set
cpu-bind=MASK - frontier06262, task 1055 15 [60271]: 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 01:34:38 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=1
INPUT CARD>! UNCOMMENT THE LINE BELOW FOR POST-HF RUNS
INPUT CARD> RCORSD=1
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= 0.46 TOTAL CPU TIME= 0.5 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 0.8 SECONDS, CPU UTILIZATION IS 55.66%
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 0.5 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.0 SECONDS, CPU UTILIZATION IS 52.33%
----------------------
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= 0.26 TOTAL CPU TIME= 0.8 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.2 SECONDS, CPU UTILIZATION IS 61.38%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.8 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.2 SECONDS, CPU UTILIZATION IS 61.38%
Initialising fragments
CPU 0: STEP CPU TIME= 0.03 TOTAL CPU TIME= 0.8 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.3 SECONDS, CPU UTILIZATION IS 62.35%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 0.8 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 1.3 SECONDS, CPU UTILIZATION IS 62.35%
-----------------------------------------------------------------------
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 1.00
No dynamic correlation for dimers with the VdW factor 1.00
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= 2.39 TOTAL CPU TIME= 3.2 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 4.9 SECONDS, CPU UTILIZATION IS 64.75%
There are 3131 separated and 9272 SCF ( 9272 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= 0.22 TOTAL CPU TIME= 3.4 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.4 SECONDS, CPU UTILIZATION IS 62.59%
dmexch needs 1798366 words of memory.
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 3.5 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.9 SECONDS, CPU UTILIZATION IS 60.54%
Data exchange of 12594342 words took 0.4 s.
call makelmo
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3.5 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.9 SECONDS, CPU UTILIZATION IS 60.54%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3.5 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.9 SECONDS, CPU UTILIZATION IS 60.54%
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 6 : 4 caps added, 6 atoms total. Charge 0 , multiplicity 0 .
48 14.00000 -10.38318500 0.81852400 10.38591000
93 8.00000 -11.99590800 0.92909300 10.65372500
18 1.00000 -9.86037432 -0.34053804 11.14330301
38 1.00000 -10.10307509 0.57645212 8.95296211
40 1.00000 -9.70806447 2.04382388 10.86887218
106 1.00000 -12.84265231 0.49786723 10.51709260
-------------
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= 3.6 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.9 SECONDS, CPU UTILIZATION IS 60.64%
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 -365.7069482300 -365.7069482300 0.291538931 0.000000000 0.000000000 1.000000000 103330 196
---------------START SECOND ORDER SCF---------------
2 1 0 -366.0188376624 -0.3118894324 0.071857807 0.043761389 0.000000000 0.000000000 103296 229
3 2 0 -366.0354721432 -0.0166344808 0.037660673 0.017955238 0.000000000 0.000000000 103182 285
4 3 0 -366.0373156396 -0.0018434964 0.007294734 0.006824227 0.000000000 0.000000000 103068 323
5 4 0 -366.0375622583 -0.0002466187 0.001703566 0.000817158 0.000000000 0.000000000 102739 442
6 5 0 -366.0375729194 -0.0000106611 0.000978399 0.000237657 0.000000000 0.000000000 102163 574
7 6 0 -366.0375743078 -0.0000013884 0.000123610 0.000047026 0.000000000 0.000000000 101647 720
8 7 0 -366.0375743478 -0.0000000401 0.000076202 0.000017747 0.000000000 0.000000000 100164 981
9 8 0 -366.0375743561 -0.0000000083 0.000006197 0.000003143 0.000000000 0.000000000 99821 1032
10 9 0 -366.0375743562 -0.0000000000 0.000003585 0.000000697 0.000000000 0.000000000 97003 1435
11 10 0 -366.0375743561 0.0000000001 0.000000529 0.000000112 0.000000000 0.000000000 95058 1658
-----------------
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 -366.0375743561 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 0.05 TOTAL CPU TIME= 3.6 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.9 SECONDS, CPU UTILIZATION IS 61.29%
-----------------------------
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 342 INTEGRAL BLOCKS
... END OF INTEGRAL TRANSFORMATION ...
CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 3.7 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 5.9 SECONDS, CPU UTILIZATION IS 61.38%
---------------------------------------
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= 3.1612617688
COULOMB SUM C= 19.5294153919
EXCHANGE SUM X= 5.6651244529
BEGINNING 2X2 JACOBI ROTATIONS...
24 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-01
77 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-02
81 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-03
86 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-04
90 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-05
91 PAIR ROTATIONS WHEN CONVERGED TO 1.00E-06
449 TOTAL PAIR ROTATIONS REQUIRED TO CONVERGE TO 1.00E-06
FINAL LOCALIZATION SUMS ARE
DIAGONAL SUM D= 4.9863215145
COULOMB SUM C= 19.5294153919
EXCHANGE SUM X= 5.6651244529
FOCK OPERATOR FOR THE LOCALIZED ORBITALS IS
... DONE WITH ENERGY LOCALIZATION ...
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3.7 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 6.0 SECONDS, CPU UTILIZATION IS 61.39%
Iteration 1: model system for bond 6 has E= -366.0375743561
Bond 6 : LMO 5 has overlap 1.000135
Bond 6 : LMO 6 has overlap 1.000101
Bond 6 : LMO 3 has overlap 1.000055
Bond 6 : LMO 1 has overlap 0.999958
Bond 6 : LMO 4 has overlap 0.999848
Bond 6 : LMO 12 has overlap 0.243193
Bond 6 : LMO 13 has overlap 0.232853
Bond 6 : LMO 9 has overlap 0.229139
Bond 6 : LMO 10 has overlap 0.049023
Bond 6 : the first discarded LMO 7 has overlap 0.012151
Bond 6 : LMO 10 is the detached bond orbital, overlap= 0.795739
Bond 6 : the closest to the detached bond LMO 13 has overlap 0.011965
The thresholds are restored.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3.7 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 6.0 SECONDS, CPU UTILIZATION IS 61.38%
Iteration 1: 1 bond AFO construction took 0.1 seconds.
call makelmo done 0.11
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 3.7 ( 0.1 MIN)
TOTAL WALL CLOCK TIME= 6.0 SECONDS, CPU UTILIZATION IS 61.38%
RHF monomer 4 corr= MP2 , L1= 603, L0= 603 ID= 2
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 104 NBCORE = 104
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 = 104
NUMBER OF CORE -B- ORBITALS = 104
NUMBER OF OCC. -A- ORBITALS = 240
NUMBER OF OCC. -B- ORBITALS = 240
NUMBER OF MOLECULAR ORBITALS = 603
NUMBER OF BASIS FUNCTIONS = 603
AO spaces for 4 0 0 n-mer: L1= 603, L0= 603
Preparing AFOs for this system...
There are 7 occupied and 63 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 4403675.1252330765***************** 0.525312260 0.000000000 0.000000000 1.000000000 2287784706 221214940
---------------START SECOND ORDER SCF---------------
2 1 0 -6246.9426466423***************** 0.188841961 0.107129763 0.000000000 0.000000000 2290874137 221079461
3 2 0 -6247.6341895959 -0.6915429536 0.032927042 0.025082925 0.000000000 0.000000000 2262589815 223027976
4 3 0 -6247.6871429641 -0.0529533681 0.013342146 0.004951696 0.000000000 0.000000000 2195654182 224845436
5 4 0 -6247.6899065180 -0.0027635539 0.003997916 0.002228517 0.000000000 0.000000000 2113581968 226269852
6 5 0 -6247.6904099805 -0.0005034625 0.001297616 0.000345639 0.000000000 0.000000000 1972421520 228021021
7 6 0 -6247.6904394102 -0.0000294297 0.000358411 0.000104920 0.000000000 0.000000000 1854610127 229277075
8 7 0 -6247.6904431028 -0.0000036926 0.000080068 0.000022052 0.000000000 0.000000000 1719016289 230657911
9 8 0 -6247.6904433200 -0.0000002172 0.000033204 0.000006555 0.000000000 0.000000000 1544890317 232304901
10 9 0 -6247.6904433488 -0.0000000288 0.000009906 0.000002222 0.000000000 0.000000000 1422783865 233445440
11 10 0 -6247.6904433665 -0.0000000177 0.000004990 0.000000780 0.000000000 0.000000000 1250338003 234941469
12 11 0 -6247.6904433621 0.0000000043 0.000001427 0.000000195 0.000000000 0.000000000 1130898233 235996347
13 12 0 -6247.6904433637 -0.0000000015 0.000000322 0.000000102 0.000000000 0.000000000 970416657 237415999
14 13 0 -6247.6904433585 0.0000000052 0.000000142 0.000000018 0.000000000 0.000000000 841767107 238554734
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 134.9 SECONDS ( 9.6 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 13.9, LAST ITERATION= 4.8
TIME TO SOLVE SCF EQUATIONS= 0.4 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -6247.6904433585 AFTER 14 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 135.72 TOTAL CPU TIME= 139.4 ( 2.3 MIN)
TOTAL WALL CLOCK TIME= 29.9 SECONDS, CPU UTILIZATION IS 466.43%
--------------------------------------------------
GENERATING EFMO PARAMETERS FOR FMO MONOMER # 4
--------------------------------------------------
FREEZING EXTRA ORBITALS IN EFMO MONOMER LOCALIZATION.
ORBITAL 534 HAS BEEN FROZEN.
ORBITAL 535 HAS BEEN FROZEN.
ORBITAL 536 HAS BEEN FROZEN.
ORBITAL 537 HAS BEEN FROZEN.
ORBITAL 538 HAS BEEN FROZEN.
ORBITAL 539 HAS BEEN FROZEN.
ORBITAL 540 HAS BEEN FROZEN.
-----------------------------
LOCALIZATION INPUT PARAMETERS
-----------------------------
LOCAL=BOYS NOUTA= 111
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 99 100 101 102 103 104 534 535 536 537
538 539 540
-------------------------
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 1114539 WORDS OF MEMORY.
THIS LOCALIZATION HAS 240 ORBITALS, OF WHICH 111 ARE FROZEN.
...... END OF ORBITAL LOCALIZATION ......
CPU 0: STEP CPU TIME= 1.14 TOTAL CPU TIME= 140.5 ( 2.3 MIN)
TOTAL WALL CLOCK TIME= 31.0 SECONDS, CPU UTILIZATION IS 452.82%
cpu time cphf (s)= 3.09
PRECONDITIONED CONJUGATE GRADIENT SOLVER CONV. TOLERANCE=5.00E-05
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 3.20367E-01 3 2200703999 220393288
cpu time cphf (s)= 2.94
2 1.73214E-01 3 2191417064 222508185
cpu time cphf (s)= 2.84
3 2.65222E-02 3 2171449674 223735923
cpu time cphf (s)= 2.69
4 8.81923E-03 3 2117785431 225517885
cpu time cphf (s)= 2.47
5 2.83310E-03 3 1985123791 227628800
cpu time cphf (s)= 2.37
6 9.92414E-04 3 1913355100 228564923
cpu time cphf (s)= 2.12
7 2.17114E-04 3 1716663247 230623561
cpu time cphf (s)= 1.95
8 9.01724E-05 3 1584288329 231901252
cpu time cphf (s)= 1.76
9 2.45105E-05 3 1422909183 233402310
THE CPHF HAS CONVERGED AFTER 9 ITERATIONS.
ts comment CPHFPOL 22.69
.... DONE WITH STATIC POLARIZABILITY ....
CPU 0: STEP CPU TIME= 133.72 TOTAL CPU TIME= 274.2 ( 4.6 MIN)
TOTAL WALL CLOCK TIME= 53.9 SECONDS, CPU UTILIZATION IS 509.16%
PRECONDITIONED CONJUGATE GRADIENT SOLVER CONV. TOLERANCE=5.00E-05
cpu time tdhf_amb (s)= 2.82
COMPUTING DYNAMIC POLARIZABILTY FOR IMAGINARY FREQUENCY 0.0027916I (A.U.)
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.08862E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 5.53688E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 1.13536E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 4.03220E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.79825E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 5.54089E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 2.34497E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 8.35732E-05 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
5 2.97693E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 8.43613E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 1.95606E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 7.65098E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 2.32962E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
5 9.98116E-05 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
6 3.59940E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.99222E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 1.22216E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 3.70134E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 1.12105E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
5 3.91574E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
6 1.47805E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
7 5.47372E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
8 2.14634E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
9 8.38760E-05 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
10 2.93120E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.72927E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 1.01332E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 2.86269E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 8.08694E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
5 2.45405E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
6 8.46319E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
7 2.93352E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
8 1.02879E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
9 3.60749E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 4.19931E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 7.04681E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 1.74503E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 4.51300E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
5 1.12462E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
6 3.01771E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
7 9.04938E-05 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
8 2.55662E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 3.33188E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 4.10142E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 7.84117E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 1.66977E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
5 3.09949E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
6 6.74940E-05 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
7 1.43087E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.24481E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 2.24682E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 2.82875E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 3.81057E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
5 5.01013E-05 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.52
cpu time tdhf_amb (s)= 2.53
6 8.17941E-06 1 2201498011 218242547
THE CPHF HAS CONVERGED AFTER 6 ITERATIONS.
IT REQUIRED 26 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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 1.26833E-01 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 9.07922E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 5.51003E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
4 4.77932E-05 3 2201498011 218242547
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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 5.02424E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 1.44335E-03 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 5.08908E-05 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.52
cpu time tdhf_amb (s)= 2.53
4 1.81561E-06 1 2201498011 218242547
THE CPHF HAS CONVERGED AFTER 4 ITERATIONS.
IT REQUIRED 14 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)= 2.96
cpu time tdhf_amb (s)= 2.80
MAXIMUM RESPONSES NONZERO BLOCKS
ITER RESPONSE ERROR IMPROVED AO INTEGRALS SKIPPED
1 2.25421E-02 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
2 3.01012E-04 3 2201498011 218242547
cpu time tdhf_apb (s)= 2.96
cpu time tdhf_amb (s)= 2.80
3 1.31202E-06 3 2201498011 218242547
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 388.87
...... DONE WITH CPHF CONTRIBUTIONS ......
CPU 0: STEP CPU TIME= 2295.61 TOTAL CPU TIME= 2569.9 ( 42.8 MIN)
TOTAL WALL CLOCK TIME= 442.0 SECONDS, CPU UTILIZATION IS 581.43%
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.095740 -18.380988 16.210030 27.787123
RHF RI MP2 ENERGY
ESCF= -6247.6904433585
E(2)= -4.4886759424
E(MP2)= -6252.1791193009
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.095740 -18.380988 16.210030 27.787123
Iter= 1 iFrag= 4 EFMOc= -6252.179119301 EFMOu= -6247.690443358
CPU 0: STEP CPU TIME= 81.13 TOTAL CPU TIME= 2651.0 ( 44.2 MIN)
TOTAL WALL CLOCK TIME= 457.8 SECONDS, CPU UTILIZATION IS 579.04%
Monomer SCF synchronisation on iteration 1.1 took 165.6 s.
CPU 0: STEP CPU TIME= 68.89 TOTAL CPU TIME= 2719.9 ( 45.3 MIN)
TOTAL WALL CLOCK TIME= 623.4 SECONDS, CPU UTILIZATION IS 436.29%
dmexch needs 1339336 words of memory.
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 2719.9 ( 45.3 MIN)
TOTAL WALL CLOCK TIME= 623.6 SECONDS, CPU UTILIZATION IS 436.19%
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= 2719.9 ( 45.3 MIN)
TOTAL WALL CLOCK TIME= 623.6 SECONDS, CPU UTILIZATION IS 436.19%
--------------------------------------
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 = -3.8510183662
--------------------------------------
FINAL EFP ENERGY = -3.8510183662
----------------------------------------
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 -72.621557 160.172607 263.157563
cpu time efpTolpol (s)= 1.57 nproc= 1024
TOTAL POLARIZATION ENERGY = -3.851018366
..... END OF TOTAL POLARIZATION ENERGY .....
CPU 0: STEP CPU TIME= 2.51 TOTAL CPU TIME= 2722.4 ( 45.4 MIN)
TOTAL WALL CLOCK TIME= 629.5 SECONDS, CPU UTILIZATION IS 432.46%
--------------------------------------
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 = -0.0008317743
--------------------------------------
FINAL EFP ENERGY = -0.0008317743
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.934245 -1.977295 3.930397 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.661787 8.226091 2.426567 11.500425
FRAGMENT 2 MSN5
X Y Z (BOHR) CHARGE
-32.225172 -11.160365 -1.636353 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.677834 -24.992499 41.586641 49.122529
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-20.699051 -7.419054 0.631619 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.016048 -16.766408 44.013208 47.098569
cpu time efp_pol (s)= 0.01 nproc= 8
RHF dimer 85 5 corr= MP2 , LL1= 1057 ID= 15
-----------------------
MP2 CONTROL INFORMATION
-----------------------
NACORE = 140 NBCORE = 140
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 = 140
NUMBER OF CORE -B- ORBITALS = 140
NUMBER OF OCC. -A- ORBITALS = 420
NUMBER OF OCC. -B- ORBITALS = 420
NUMBER OF MOLECULAR ORBITALS = 1057
NUMBER OF BASIS FUNCTIONS = 1057
AO spaces for 85 5 0 n-mer: L1= 1057, L0= 1057
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 -9221.8077979209 -9221.8077979209 0.068346687 0.000000000 0.000000000 1.000000000 3640465675 5004480367
---------------START SECOND ORDER SCF---------------
2 1 0 -9327.6145800336 -105.8067821127 0.019009593 0.001290434 0.000000000 0.000000000 3164500425 5018821901
3 2 0 -9327.6149809637 -0.0004009301 0.009915007 0.000551338 0.000000000 0.000000000 2824326247 5023671442
4 3 0 -9327.6150395173 -0.0000585535 0.001061197 0.000190171 0.000000000 0.000000000 2702900068 5025312093
5 4 0 -9327.6150448676 -0.0000053504 0.000505107 0.000091975 0.000000000 0.000000000 2434542255 5028675436
6 5 0 -9327.6150452928 -0.0000004252 0.000095996 0.000048652 0.000000000 0.000000000 2179070240 5031877728
7 6 0 -9327.6150453251 -0.0000000322 0.000026999 0.000008916 0.000000000 0.000000000 1948440643 5034592351
8 7 0 -9327.6150453278 -0.0000000028 0.000006647 0.000001276 0.000000000 0.000000000 1758351680 5036916743
9 8 0 -9327.6150453276 0.0000000002 0.000004764 0.000000688 0.000000000 0.000000000 1476573304 5040239548
10 9 0 -9327.6150453291 -0.0000000015 0.000000650 0.000000242 0.000000000 0.000000000 1349027713 5041647547
11 10 0 -9327.6150453285 0.0000000006 0.000000176 0.000000025 0.000000000 0.000000000 1120862786 5044337184
12 11 0 -9327.6150453298 -0.0000000012 0.000000000 0.000000007 0.000000000 0.000000000 910589486 5046822551
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 207.3 SECONDS ( 17.3 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 29.1, LAST ITERATION= 12.6
TIME TO SOLVE SCF EQUATIONS= 1.4 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -9327.6150453298 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 221.71 TOTAL CPU TIME= 2944.1 ( 49.1 MIN)
TOTAL WALL CLOCK TIME= 671.1 SECONDS, CPU UTILIZATION IS 438.67%
RHF RI MP2 ENERGY
ESCF= -9327.6150453298
E(2)= -9.2712540743
E(MP2)= -9336.8862994041
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.040045 -16.643722 44.055858 47.094944
iFrag= 85 jFrag= 5 EFMOc= -9336.886299404
iFrag= 85 jFrag= 5 EFMOu= -9327.615045330 Tr= 0.000831774
--------------------------------------
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 = -0.0005774156
--------------------------------------
FINAL EFP ENERGY = -0.0005774156
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.046751 -6.724669 -8.938025 13.219915
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.235704 6.677927 1.906504 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.543325 0.923624 18.517184 25.524643
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.484382 -1.765598 4.335153 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.496574 -5.801045 9.579159 15.348956
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 70 16 corr= MP2 , LL1= 780 ID= 274
-----------------------
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 70 16 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 -4559.1279212503 -4559.1279212503 0.127680270 0.000000000 0.000000000 1.000000000 32433041 3904718042
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0271484773 0.1007727730 0.016613317 0.004717560 0.000000000 0.000000000 31557758 3905209202
3 2 0 -4559.0278839687 -0.0007354914 0.007792515 0.001591399 0.000000000 0.000000000 30681634 3905353696
4 3 0 -4559.0279768915 -0.0000929228 0.001158452 0.000523512 0.000000000 0.000000000 30238432 3905411942
5 4 0 -4559.0279853139 -0.0000084224 0.000495312 0.000175893 0.000000000 0.000000000 29108480 3905541577
6 5 0 -4559.0279864944 -0.0000011805 0.000285296 0.000055005 0.000000000 0.000000000 28340519 3905640082
7 6 0 -4559.0279866166 -0.0000001223 0.000037190 0.000012617 0.000000000 0.000000000 27504120 3905740991
8 7 0 -4559.0279866205 -0.0000000038 0.000017712 0.000004227 0.000000000 0.000000000 26055453 3905880657
9 8 0 -4559.0279866210 -0.0000000005 0.000002513 0.000001692 0.000000000 0.000000000 25612846 3905925958
10 9 0 -4559.0279866210 -0.0000000000 0.000000358 0.000000219 0.000000000 0.000000000 24333934 3906063890
11 10 0 -4559.0279866210 0.0000000000 0.000000412 0.000000062 0.000000000 0.000000000 23172810 3906166973
12 11 0 -4559.0279866210 0.0000000000 0.000000072 0.000000020 0.000000000 0.000000000 22454217 3906236317
13 12 0 -4559.0279866210 -0.0000000000 0.000000000 0.000000007 0.000000000 0.000000000 20836030 3906390882
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.6 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 -4559.0279866210 AFTER 13 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 1602.44 TOTAL CPU TIME= 4546.6 ( 75.8 MIN)
TOTAL WALL CLOCK TIME= 954.0 SECONDS, CPU UTILIZATION IS 476.60%
RHF RI MP2 ENERGY
ESCF= -4559.0279866210
E(2)= -7.6735068594
E(MP2)= -4566.7014934804
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.517104 -5.507929 9.582557 15.256873
iFrag= 70 jFrag= 16 EFMOc= -4566.701493480
iFrag= 70 jFrag= 16 EFMOu= -4559.027986621 Tr= 0.000577416
--------------------------------------
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 = -0.0004108108
--------------------------------------
FINAL EFP ENERGY = -0.0004108108
----------------------------------------
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)
-13.928885 2.641076 -0.861478 14.203213
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.088995 4.423931 0.046680 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.526331 14.376444 -11.685124 19.071234
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.359526 7.307877 -0.797225 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.402554 17.017520 -12.546602 23.139171
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 147 96 corr= MP2 , LL1= 780 ID= 402
-----------------------
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 96 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 -4559.0389046366 -4559.0389046366 0.048205495 0.000000000 0.000000000 1.000000000 24732060 3905406398
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0205850589 0.0183195777 0.009520165 0.003587085 0.000000000 0.000000000 23781903 3905856584
3 2 0 -4559.0210158054 -0.0004307465 0.005358465 0.001273489 0.000000000 0.000000000 23147703 3905963796
4 3 0 -4559.0210858263 -0.0000700210 0.000737542 0.000656215 0.000000000 0.000000000 22934707 3905992995
5 4 0 -4559.0210917242 -0.0000058978 0.000203002 0.000101626 0.000000000 0.000000000 22244751 3906086311
6 5 0 -4559.0210920163 -0.0000002921 0.000106282 0.000031947 0.000000000 0.000000000 21546147 3906180035
7 6 0 -4559.0210920497 -0.0000000334 0.000019564 0.000005006 0.000000000 0.000000000 21018473 3906245695
8 7 0 -4559.0210920508 -0.0000000011 0.000008246 0.000002223 0.000000000 0.000000000 20290781 3906319532
9 8 0 -4559.0210920510 -0.0000000002 0.000001620 0.000000852 0.000000000 0.000000000 19957444 3906355751
10 9 0 -4559.0210920510 0.0000000000 0.000000349 0.000000157 0.000000000 0.000000000 19255987 3906415485
11 10 0 -4559.0210920510 0.0000000000 0.000000152 0.000000043 0.000000000 0.000000000 18726889 3906476508
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0210920510 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.92 TOTAL CPU TIME= 5100.5 ( 85.0 MIN)
TOTAL WALL CLOCK TIME= 1053.0 SECONDS, CPU UTILIZATION IS 484.37%
RHF RI MP2 ENERGY
ESCF= -4559.0210920510
E(2)= -7.6675190158
E(MP2)= -4566.6886110668
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.456335 16.979033 -12.734742 23.235393
iFrag= 147 jFrag= 96 EFMOc= -4566.688611067
iFrag= 147 jFrag= 96 EFMOu= -4559.021092051 Tr= 0.000410811
--------------------------------------
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 = -0.0007782082
--------------------------------------
FINAL EFP ENERGY = -0.0007782082
----------------------------------------
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)
1.834849 0.826702 7.192142 7.468401
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
1.779067 2.914368 -4.471235 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.616946 -5.742116 4.616988 9.903154
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.361663 3.907295 -4.997142 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.451795 -4.915414 11.809130 15.331330
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 140 124 corr= MP2 , LL1= 780 ID= 528
-----------------------
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 140 124 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 -4559.1181999386 -4559.1181999386 0.090976227 0.000000000 0.000000000 1.000000000 28298013 3905189303
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0654230133 0.0527769253 0.015731636 0.004521170 0.000000000 0.000000000 28103455 3905507899
3 2 0 -4559.0664379503 -0.0010149370 0.008513190 0.001815109 0.000000000 0.000000000 27634216 3905604863
4 3 0 -4559.0665871634 -0.0001492132 0.001223709 0.000695885 0.000000000 0.000000000 27361091 3905642168
5 4 0 -4559.0666007675 -0.0000136041 0.000370517 0.000121538 0.000000000 0.000000000 26724968 3905727625
6 5 0 -4559.0666016225 -0.0000008550 0.000190673 0.000050468 0.000000000 0.000000000 26080287 3905813771
7 6 0 -4559.0666017243 -0.0000001018 0.000046960 0.000014654 0.000000000 0.000000000 25586059 3905880956
8 7 0 -4559.0666017296 -0.0000000053 0.000017008 0.000004953 0.000000000 0.000000000 24692868 3905965397
9 8 0 -4559.0666017306 -0.0000000010 0.000002181 0.000000906 0.000000000 0.000000000 24366094 3906002385
10 9 0 -4559.0666017307 -0.0000000001 0.000000622 0.000000212 0.000000000 0.000000000 23404918 3906092559
11 10 0 -4559.0666017307 -0.0000000000 0.000000303 0.000000077 0.000000000 0.000000000 22802144 3906160908
12 11 0 -4559.0666017307 0.0000000000 0.000000067 0.000000020 0.000000000 0.000000000 22006508 3906252150
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.3 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 -4559.0666017307 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.18 TOTAL CPU TIME= 5660.7 ( 94.3 MIN)
TOTAL WALL CLOCK TIME= 1152.2 SECONDS, CPU UTILIZATION IS 491.30%
RHF RI MP2 ENERGY
ESCF= -4559.0666017307
E(2)= -7.6740872228
E(MP2)= -4566.7406889535
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.364855 -4.864179 11.910663 15.345844
iFrag= 140 jFrag= 124 EFMOc= -4566.740688954
iFrag= 140 jFrag= 124 EFMOu= -4559.066601731 Tr= 0.000778208
--------------------------------------
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 = -0.0002559022
--------------------------------------
FINAL EFP ENERGY = -0.0002559022
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.512111 3.331625 -7.121855 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.992442 -5.834965 4.076752 20.282494
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.095126 7.247145 -8.360755 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.718031 -2.064529 -20.427451 20.710643
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.208493 5.289385 -7.741305 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.710473 -7.899494 -16.350698 28.303568
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 139 58 corr= MP2 , LL1= 780 ID= 657
-----------------------
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 139 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 -4559.0535246999 -4559.0535246999 0.040626622 0.000000000 0.000000000 1.000000000 28153767 3904940792
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0545299885 -0.0010052886 0.007936760 0.001593364 0.000000000 0.000000000 26951765 3905531237
3 2 0 -4559.0546168549 -0.0000868664 0.002724484 0.000494120 0.000000000 0.000000000 26059734 3905684652
4 3 0 -4559.0546248099 -0.0000079550 0.000335055 0.000166560 0.000000000 0.000000000 25625995 3905750775
5 4 0 -4559.0546256386 -0.0000008288 0.000194732 0.000057113 0.000000000 0.000000000 24636310 3905880224
6 5 0 -4559.0546257094 -0.0000000708 0.000062792 0.000014113 0.000000000 0.000000000 23753144 3906011456
7 6 0 -4559.0546257170 -0.0000000076 0.000006977 0.000003009 0.000000000 0.000000000 23210838 3906064932
8 7 0 -4559.0546257173 -0.0000000003 0.000003489 0.000001130 0.000000000 0.000000000 21630476 3906219050
9 8 0 -4559.0546257173 -0.0000000000 0.000000612 0.000000225 0.000000000 0.000000000 21046176 3906276001
10 9 0 -4559.0546257173 -0.0000000000 0.000000167 0.000000149 0.000000000 0.000000000 19583829 3906410806
11 10 0 -4559.0546257173 0.0000000000 0.000000054 0.000000015 0.000000000 0.000000000 18782409 3906481044
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0546257173 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.50 TOTAL CPU TIME= 6215.2 ( 103.6 MIN)
TOTAL WALL CLOCK TIME= 1250.5 SECONDS, CPU UTILIZATION IS 497.01%
RHF RI MP2 ENERGY
ESCF= -4559.0546257173
E(2)= -7.6640315641
E(MP2)= -4566.7186572815
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.760717 -7.912043 -16.360568 28.351321
iFrag= 139 jFrag= 58 EFMOc= -4566.718657281
iFrag= 139 jFrag= 58 EFMOu= -4559.054625717 Tr= 0.000255902
--------------------------------------
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 = -0.0005136673
--------------------------------------
FINAL EFP ENERGY = -0.0005136673
----------------------------------------
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)
4.536835 -8.649157 -13.173824 16.399404
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.588109 -2.358332 -4.703904 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.362609 -0.376660 0.383039 4.395560
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.440590 -7.227790 -0.477007 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.174226 -9.025818 -12.790786 15.655668
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 148 42 corr= MP2 , LL1= 780 ID= 782
-----------------------
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 42 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 -4559.0699866397 -4559.0699866397 0.038493384 0.000000000 0.000000000 1.000000000 28939330 3904876003
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0550278190 0.0149588207 0.006669721 0.002915144 0.000000000 0.000000000 28156099 3905424840
3 2 0 -4559.0552773126 -0.0002494937 0.002994814 0.000845028 0.000000000 0.000000000 27349934 3905581146
4 3 0 -4559.0553074256 -0.0000301130 0.000418449 0.000311784 0.000000000 0.000000000 26955224 3905641407
5 4 0 -4559.0553092762 -0.0000018506 0.000166748 0.000107553 0.000000000 0.000000000 26013043 3905761700
6 5 0 -4559.0553095168 -0.0000002406 0.000036598 0.000017414 0.000000000 0.000000000 25232591 3905875241
7 6 0 -4559.0553095333 -0.0000000165 0.000011850 0.000003887 0.000000000 0.000000000 24469313 3905961994
8 7 0 -4559.0553095343 -0.0000000010 0.000003480 0.000001607 0.000000000 0.000000000 23419608 3906069942
9 8 0 -4559.0553095344 -0.0000000001 0.000000798 0.000000398 0.000000000 0.000000000 22833085 3906133963
10 9 0 -4559.0553095345 -0.0000000001 0.000000313 0.000000299 0.000000000 0.000000000 21889264 3906227102
11 10 0 -4559.0553095344 0.0000000000 0.000000108 0.000000040 0.000000000 0.000000000 21111539 3906298525
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.3 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0553095344 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.98 TOTAL CPU TIME= 6770.1 ( 112.8 MIN)
TOTAL WALL CLOCK TIME= 1348.7 SECONDS, CPU UTILIZATION IS 501.97%
RHF RI MP2 ENERGY
ESCF= -4559.0553095344
E(2)= -7.6692304860
E(MP2)= -4566.7245400204
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.075457 -9.262566 -12.806397 15.805209
iFrag= 148 jFrag= 42 EFMOc= -4566.724540020
iFrag= 148 jFrag= 42 EFMOu= -4559.055309534 Tr= 0.000513667
--------------------------------------
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 = -0.0009888771
--------------------------------------
FINAL EFP ENERGY = -0.0009888771
----------------------------------------
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)
2.370649 -8.574161 -13.694748 16.330412
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.749846 3.382504 -4.425236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.803727 -2.224135 -15.082632 17.126900
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.247339 -2.085690 -2.322984 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.174376 -10.798297 -28.777380 32.376825
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 145 61 corr= MP2 , LL1= 780 ID= 909
-----------------------
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 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 -4559.1410525739 -4559.1410525739 0.081219907 0.000000000 0.000000000 1.000000000 28325204 3904915537
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9938855072 0.1471670667 0.009731731 0.004683270 0.000000000 0.000000000 27637657 3905454181
3 2 0 -4558.9948243200 -0.0009388128 0.004936236 0.001331351 0.000000000 0.000000000 26880958 3905609211
4 3 0 -4558.9949524089 -0.0001280889 0.001068652 0.000733134 0.000000000 0.000000000 26534926 3905665455
5 4 0 -4558.9949657045 -0.0000132957 0.000405413 0.000201209 0.000000000 0.000000000 25496114 3905800645
6 5 0 -4558.9949671476 -0.0000014431 0.000190726 0.000044198 0.000000000 0.000000000 24822364 3905898506
7 6 0 -4558.9949672921 -0.0000001445 0.000028457 0.000007556 0.000000000 0.000000000 23960495 3906009217
8 7 0 -4558.9949672958 -0.0000000037 0.000013676 0.000002931 0.000000000 0.000000000 23014012 3906102422
9 8 0 -4558.9949672964 -0.0000000005 0.000001863 0.000001107 0.000000000 0.000000000 22619992 3906141897
10 9 0 -4558.9949672964 -0.0000000000 0.000000521 0.000000224 0.000000000 0.000000000 21680325 3906232884
11 10 0 -4558.9949672964 0.0000000000 0.000000366 0.000000072 0.000000000 0.000000000 21055475 3906305418
12 11 0 -4558.9949672964 0.0000000000 0.000000075 0.000000019 0.000000000 0.000000000 20518816 3906355217
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.3 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9949672964 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.21 TOTAL CPU TIME= 7330.4 ( 122.2 MIN)
TOTAL WALL CLOCK TIME= 1448.0 SECONDS, CPU UTILIZATION IS 506.23%
RHF RI MP2 ENERGY
ESCF= -4558.9949672964
E(2)= -7.6683837735
E(MP2)= -4566.6633510699
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.276574 -10.566700 -28.715811 32.277871
iFrag= 145 jFrag= 61 EFMOc= -4566.663351070
iFrag= 145 jFrag= 61 EFMOu= -4558.994967296 Tr= 0.000988877
--------------------------------------
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 = -0.0001132901
--------------------------------------
FINAL EFP ENERGY = -0.0001132901
----------------------------------------
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)
0.761005 -3.366265 -6.153451 7.055198
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.770428 0.085482 6.856826 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.569588 10.021261 -0.443257 11.473555
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.025760 4.456032 0.800444 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.330593 6.654996 -6.596708 11.308489
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 155 84 corr= MP2 , LL1= 780 ID= 1038
-----------------------
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 84 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 -4559.0197763680 -4559.0197763680 0.054078102 0.000000000 0.000000000 1.000000000 23703901 3905427582
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0207593815 -0.0009830135 0.011755796 0.003337581 0.000000000 0.000000000 22434480 3905995579
3 2 0 -4559.0208824698 -0.0001230883 0.004583012 0.000877689 0.000000000 0.000000000 21829033 3906102535
4 3 0 -4559.0208937467 -0.0000112768 0.000697151 0.000398267 0.000000000 0.000000000 21477659 3906146147
5 4 0 -4559.0208950068 -0.0000012601 0.000244154 0.000121786 0.000000000 0.000000000 20722568 3906232161
6 5 0 -4559.0208951275 -0.0000001207 0.000103236 0.000034376 0.000000000 0.000000000 20085425 3906324677
7 6 0 -4559.0208951462 -0.0000000187 0.000009069 0.000004646 0.000000000 0.000000000 19897405 3906340498
8 7 0 -4559.0208951466 -0.0000000004 0.000004760 0.000002520 0.000000000 0.000000000 19033656 3906434688
9 8 0 -4559.0208951467 -0.0000000001 0.000001180 0.000000697 0.000000000 0.000000000 18851291 3906452562
10 9 0 -4559.0208951467 0.0000000000 0.000000154 0.000000149 0.000000000 0.000000000 18320433 3906507347
11 10 0 -4559.0208951467 -0.0000000000 0.000000073 0.000000026 0.000000000 0.000000000 17705534 3906564380
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0208951467 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.31 TOTAL CPU TIME= 7884.7 ( 131.4 MIN)
TOTAL WALL CLOCK TIME= 1546.3 SECONDS, CPU UTILIZATION IS 509.91%
RHF RI MP2 ENERGY
ESCF= -4559.0208951467
E(2)= -7.6669039140
E(MP2)= -4566.6877990607
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.258141 6.638938 -6.539856 11.225398
iFrag= 155 jFrag= 84 EFMOc= -4566.687799061
iFrag= 155 jFrag= 84 EFMOu= -4559.020895147 Tr= 0.000113290
--------------------------------------
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 = -0.0003314429
--------------------------------------
FINAL EFP ENERGY = -0.0003314429
----------------------------------------
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)
-9.139382 -13.166824 -10.953561 19.413244
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.176089 -0.369697 8.173426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.735291 -8.256148 -18.942977 20.998875
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-7.274780 -0.005581 1.013191 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.874673 -21.422971 -29.896538 38.967985
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 78 66 corr= MP2 , LL1= 780 ID= 1165
-----------------------
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 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 -4559.0611202810 -4559.0611202810 0.061435427 0.000000000 0.000000000 1.000000000 26441521 3905176241
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0268814507 0.0342388303 0.007831602 0.003225247 0.000000000 0.000000000 25056146 3905755589
3 2 0 -4559.0271175909 -0.0002361402 0.004245923 0.001145716 0.000000000 0.000000000 24389660 3905871099
4 3 0 -4559.0271493879 -0.0000317971 0.000705031 0.000255078 0.000000000 0.000000000 24123631 3905913594
5 4 0 -4559.0271516398 -0.0000022519 0.000239459 0.000111821 0.000000000 0.000000000 23357097 3906010496
6 5 0 -4559.0271520101 -0.0000003703 0.000175749 0.000025983 0.000000000 0.000000000 22699378 3906099151
7 6 0 -4559.0271520470 -0.0000000369 0.000028970 0.000008039 0.000000000 0.000000000 22153690 3906162270
8 7 0 -4559.0271520483 -0.0000000013 0.000008263 0.000003078 0.000000000 0.000000000 21195875 3906256542
9 8 0 -4559.0271520485 -0.0000000002 0.000001778 0.000000961 0.000000000 0.000000000 20834608 3906291867
10 9 0 -4559.0271520485 0.0000000000 0.000000397 0.000000205 0.000000000 0.000000000 20084396 3906373902
11 10 0 -4559.0271520485 -0.0000000000 0.000000192 0.000000049 0.000000000 0.000000000 19369021 3906438949
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.9 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0271520485 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.46 TOTAL CPU TIME= 8439.1 ( 140.7 MIN)
TOTAL WALL CLOCK TIME= 1644.4 SECONDS, CPU UTILIZATION IS 513.22%
RHF RI MP2 ENERGY
ESCF= -4559.0271520485
E(2)= -7.6694490101
E(MP2)= -4566.6966010586
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-12.729853 -21.276444 -29.817137 38.778833
iFrag= 78 jFrag= 66 EFMOc= -4566.696601059
iFrag= 78 jFrag= 66 EFMOu= -4559.027152049 Tr= 0.000331443
--------------------------------------
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 = -0.0002906105
--------------------------------------
FINAL EFP ENERGY = -0.0002906105
----------------------------------------
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)
-2.263332 -4.163332 0.257199 4.745751
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-4.056733 -4.432143 -2.250088 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.487088 -14.691570 7.987448 21.483554
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-4.778703 -4.788923 -3.558623 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.223756 -18.854902 8.244647 23.440440
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 153 111 corr= MP2 , LL1= 780 ID= 1292
-----------------------
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 153 111 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 -4559.0563121771 -4559.0563121771 0.041020997 0.000000000 0.000000000 1.000000000 24629412 3905443220
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0461482781 0.0101638990 0.010968345 0.003835924 0.000000000 0.000000000 23915708 3905862103
3 2 0 -4559.0465165773 -0.0003682992 0.005177311 0.001251526 0.000000000 0.000000000 23378455 3905961972
4 3 0 -4559.0465602106 -0.0000436333 0.000720774 0.000471133 0.000000000 0.000000000 23127002 3906001058
5 4 0 -4559.0465649730 -0.0000047624 0.000265565 0.000088346 0.000000000 0.000000000 22435297 3906089610
6 5 0 -4559.0465653577 -0.0000003847 0.000156025 0.000032499 0.000000000 0.000000000 21812145 3906166650
7 6 0 -4559.0465654019 -0.0000000442 0.000024243 0.000006528 0.000000000 0.000000000 21338737 3906218623
8 7 0 -4559.0465654032 -0.0000000013 0.000010016 0.000004612 0.000000000 0.000000000 20619128 3906295480
9 8 0 -4559.0465654034 -0.0000000002 0.000001546 0.000000805 0.000000000 0.000000000 20404386 3906320304
10 9 0 -4559.0465654034 -0.0000000000 0.000000272 0.000000096 0.000000000 0.000000000 19733999 3906387634
11 10 0 -4559.0465654034 -0.0000000000 0.000000129 0.000000041 0.000000000 0.000000000 19256071 3906438849
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0465654034 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.44 TOTAL CPU TIME= 8993.6 ( 149.9 MIN)
TOTAL WALL CLOCK TIME= 1742.6 SECONDS, CPU UTILIZATION IS 516.10%
RHF RI MP2 ENERGY
ESCF= -4559.0465654034
E(2)= -7.6683112464
E(MP2)= -4566.7148766499
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.186889 -18.939668 8.325747 23.519685
iFrag= 153 jFrag= 111 EFMOc= -4566.714876650
iFrag= 153 jFrag= 111 EFMOu= -4559.046565403 Tr= 0.000290610
--------------------------------------
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 = -0.0002670844
--------------------------------------
FINAL EFP ENERGY = -0.0002670844
----------------------------------------
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)
13.866523 14.248271 -2.253468 20.009293
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.693019 12.693012 -0.101654 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.046908 4.930489 -3.965719 10.236668
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.493046 7.288716 0.226222 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.913431 19.178760 -6.219187 29.777535
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 76 20 corr= MP2 , LL1= 780 ID= 1420
-----------------------
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 20 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 -4559.0624808179 -4559.0624808179 0.063373579 0.000000000 0.000000000 1.000000000 26559361 3905182632
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0257201368 0.0367606811 0.007951757 0.002463824 0.000000000 0.000000000 25312971 3905743001
3 2 0 -4559.0259159361 -0.0001957993 0.003617083 0.000819643 0.000000000 0.000000000 24560314 3905858094
4 3 0 -4559.0259395383 -0.0000236022 0.000958735 0.000327618 0.000000000 0.000000000 24202156 3905903225
5 4 0 -4559.0259418193 -0.0000022810 0.000238952 0.000098378 0.000000000 0.000000000 23228461 3906012996
6 5 0 -4559.0259420460 -0.0000002267 0.000151634 0.000025281 0.000000000 0.000000000 22491003 3906113149
7 6 0 -4559.0259420737 -0.0000000277 0.000018975 0.000004911 0.000000000 0.000000000 21874439 3906181800
8 7 0 -4559.0259420745 -0.0000000008 0.000004873 0.000002248 0.000000000 0.000000000 20863968 3906282659
9 8 0 -4559.0259420746 -0.0000000001 0.000001577 0.000000988 0.000000000 0.000000000 20508308 3906316588
10 9 0 -4559.0259420747 -0.0000000000 0.000000312 0.000000182 0.000000000 0.000000000 19572862 3906405594
11 10 0 -4559.0259420747 -0.0000000000 0.000000242 0.000000063 0.000000000 0.000000000 18986945 3906473841
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0259420747 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.31 TOTAL CPU TIME= 9547.9 ( 159.1 MIN)
TOTAL WALL CLOCK TIME= 1840.8 SECONDS, CPU UTILIZATION IS 518.67%
RHF RI MP2 ENERGY
ESCF= -4559.0259420747
E(2)= -7.6695297270
E(MP2)= -4566.6954718017
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.963079 19.210464 -6.239371 29.838708
iFrag= 76 jFrag= 20 EFMOc= -4566.695471802
iFrag= 76 jFrag= 20 EFMOu= -4559.025942075 Tr= 0.000267084
--------------------------------------
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 = -0.0002369744
--------------------------------------
FINAL EFP ENERGY = -0.0002369744
----------------------------------------
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)
-2.790528 -3.521332 -11.933130 12.750938
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.340083 2.366448 -0.459878 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.208234 0.389133 6.103589 6.119525
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.245314 0.455776 0.813793 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.582294 -3.132199 -5.829541 7.103693
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 101 46 corr= MP2 , LL1= 780 ID= 1548
-----------------------
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 46 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 -4559.0411396724 -4559.0411396724 0.048533868 0.000000000 0.000000000 1.000000000 24377643 3905304339
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0419445684 -0.0008048960 0.010516639 0.003180722 0.000000000 0.000000000 23074896 3905905046
3 2 0 -4559.0421069955 -0.0001624271 0.003828435 0.001006602 0.000000000 0.000000000 22307905 3906029065
4 3 0 -4559.0421206846 -0.0000136891 0.000492252 0.000311749 0.000000000 0.000000000 21799919 3906088288
5 4 0 -4559.0421222712 -0.0000015866 0.000216430 0.000090061 0.000000000 0.000000000 20823410 3906196560
6 5 0 -4559.0421224090 -0.0000001378 0.000083374 0.000024151 0.000000000 0.000000000 20113717 3906301625
7 6 0 -4559.0421224298 -0.0000000208 0.000008908 0.000003804 0.000000000 0.000000000 19829594 3906331865
8 7 0 -4559.0421224302 -0.0000000004 0.000004561 0.000001384 0.000000000 0.000000000 18612880 3906465395
9 8 0 -4559.0421224303 -0.0000000001 0.000000901 0.000000426 0.000000000 0.000000000 18379511 3906489748
10 9 0 -4559.0421224303 0.0000000000 0.000000200 0.000000131 0.000000000 0.000000000 17614253 3906563294
11 10 0 -4559.0421224303 0.0000000000 0.000000064 0.000000034 0.000000000 0.000000000 16979500 3906614016
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0421224303 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.15 TOTAL CPU TIME= 10102.0 ( 168.4 MIN)
TOTAL WALL CLOCK TIME= 1939.1 SECONDS, CPU UTILIZATION IS 520.97%
RHF RI MP2 ENERGY
ESCF= -4559.0421224303
E(2)= -7.6651962065
E(MP2)= -4566.7073186368
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.577109 -3.151664 -5.824163 7.106008
iFrag= 101 jFrag= 46 EFMOc= -4566.707318637
iFrag= 101 jFrag= 46 EFMOu= -4559.042122430 Tr= 0.000236974
--------------------------------------
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 = -0.0003745450
--------------------------------------
FINAL EFP ENERGY = -0.0003745450
----------------------------------------
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)
0.239749 -6.584838 -2.707258 7.123680
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-2.752195 4.474526 1.415069 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.387534 7.314855 -3.542595 13.189311
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.888475 3.947498 0.167812 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.627283 0.730016 -6.249853 12.350414
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 146 144 corr= MP2 , LL1= 780 ID= 1675
-----------------------
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 146 144 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 -4559.1118071507 -4559.1118071507 0.082565884 0.000000000 0.000000000 1.000000000 22868486 3905524906
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0142630495 0.0975441011 0.013757024 0.005423824 0.000000000 0.000000000 21754420 3906031294
3 2 0 -4559.0147553019 -0.0004922523 0.004930740 0.002115578 0.000000000 0.000000000 21132691 3906136792
4 3 0 -4559.0148214811 -0.0000661792 0.001132275 0.000990142 0.000000000 0.000000000 20883066 3906173375
5 4 0 -4559.0148286510 -0.0000071700 0.000542652 0.000232485 0.000000000 0.000000000 20157555 3906265337
6 5 0 -4559.0148294627 -0.0000008117 0.000185648 0.000067795 0.000000000 0.000000000 19637152 3906341099
7 6 0 -4559.0148295360 -0.0000000733 0.000022721 0.000009888 0.000000000 0.000000000 18976498 3906413661
8 7 0 -4559.0148295377 -0.0000000017 0.000010420 0.000003216 0.000000000 0.000000000 18359111 3906470662
9 8 0 -4559.0148295379 -0.0000000002 0.000001805 0.000000913 0.000000000 0.000000000 18100025 3906500639
10 9 0 -4559.0148295379 -0.0000000000 0.000000670 0.000000368 0.000000000 0.000000000 17549742 3906551483
11 10 0 -4559.0148295379 0.0000000000 0.000000242 0.000000070 0.000000000 0.000000000 17180087 3906595296
12 11 0 -4559.0148295378 0.0000000000 0.000000100 0.000000020 0.000000000 0.000000000 16909053 3906628217
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 60.5 SECONDS ( 5.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0148295378 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 558.82 TOTAL CPU TIME= 10660.9 ( 177.7 MIN)
TOTAL WALL CLOCK TIME= 2038.2 SECONDS, CPU UTILIZATION IS 523.04%
RHF RI MP2 ENERGY
ESCF= -4559.0148295378
E(2)= -7.6652064475
E(MP2)= -4566.6800359854
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.474806 0.721745 -6.153369 12.169899
iFrag= 146 jFrag= 144 EFMOc= -4566.680035985
iFrag= 146 jFrag= 144 EFMOu= -4559.014829538 Tr= 0.000374545
--------------------------------------
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 = -0.0002655216
--------------------------------------
FINAL EFP ENERGY = -0.0002655216
----------------------------------------
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)
2.356562 -8.676454 -13.801491 16.471654
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.244807 7.791423 -7.922690 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.115933 7.492454 3.309468 10.850158
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.994820 0.118769 -4.071711 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.472495 -1.184000 -10.492023 14.184941
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 145 87 corr= MP2 , LL1= 780 ID= 1803
-----------------------
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 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 -4559.0545588887 -4559.0545588887 0.033370933 0.000000000 0.000000000 1.000000000 28006760 3905003890
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0414986992 0.0130601895 0.004952666 0.001691322 0.000000000 0.000000000 26713070 3905598804
3 2 0 -4559.0416178091 -0.0001191099 0.001916984 0.000697263 0.000000000 0.000000000 25881609 3905740728
4 3 0 -4559.0416309828 -0.0000131738 0.000439970 0.000268841 0.000000000 0.000000000 25463638 3905796793
5 4 0 -4559.0416325128 -0.0000015299 0.000169806 0.000058147 0.000000000 0.000000000 24511050 3905912687
6 5 0 -4559.0416326742 -0.0000001614 0.000099024 0.000020541 0.000000000 0.000000000 23767286 3906012553
7 6 0 -4559.0416326928 -0.0000000186 0.000009452 0.000003366 0.000000000 0.000000000 23139240 3906092487
8 7 0 -4559.0416326933 -0.0000000005 0.000003385 0.000001018 0.000000000 0.000000000 22043543 3906192164
9 8 0 -4559.0416326933 -0.0000000000 0.000000855 0.000000351 0.000000000 0.000000000 21613479 3906230594
10 9 0 -4559.0416326934 -0.0000000000 0.000000207 0.000000112 0.000000000 0.000000000 20630833 3906330368
11 10 0 -4559.0416326933 0.0000000000 0.000000143 0.000000045 0.000000000 0.000000000 19977067 3906395745
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0416326933 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.66 TOTAL CPU TIME= 11215.5 ( 186.9 MIN)
TOTAL WALL CLOCK TIME= 2136.4 SECONDS, CPU UTILIZATION IS 524.98%
RHF RI MP2 ENERGY
ESCF= -4559.0416326933
E(2)= -7.6688149955
E(MP2)= -4566.7104476888
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.478381 -1.277849 -10.491141 14.196360
iFrag= 145 jFrag= 87 EFMOc= -4566.710447689
iFrag= 145 jFrag= 87 EFMOu= -4559.041632693 Tr= 0.000265522
--------------------------------------
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 = -0.0001390840
--------------------------------------
FINAL EFP ENERGY = -0.0001390840
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.403576 -19.985593 1.858638 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.874663 -5.805758 5.072882 16.754002
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.912630 3.313886 2.522592 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.081233 7.135884 5.325159 9.794622
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.754527 -8.335854 2.190615 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.955896 1.330125 10.398041 21.661359
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 32 18 corr= MP2 , LL1= 780 ID= 1932
-----------------------
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 32 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 -4559.0609280442 -4559.0609280442 0.041678382 0.000000000 0.000000000 1.000000000 24723200 3905311236
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0608836916 0.0000443526 0.010219062 0.004062033 0.000000000 0.000000000 23067742 3905933973
3 2 0 -4559.0610427577 -0.0001590660 0.004520542 0.001160549 0.000000000 0.000000000 22326718 3906052865
4 3 0 -4559.0610616777 -0.0000189200 0.000541439 0.000426485 0.000000000 0.000000000 22048996 3906096131
5 4 0 -4559.0610628377 -0.0000011600 0.000204427 0.000097441 0.000000000 0.000000000 21317652 3906188854
6 5 0 -4559.0610629823 -0.0000001446 0.000061771 0.000016874 0.000000000 0.000000000 20524872 3906296155
7 6 0 -4559.0610629929 -0.0000000106 0.000013016 0.000003440 0.000000000 0.000000000 20015140 3906348243
8 7 0 -4559.0610629934 -0.0000000005 0.000007628 0.000001517 0.000000000 0.000000000 19222333 3906429825
9 8 0 -4559.0610629935 -0.0000000001 0.000001650 0.000000781 0.000000000 0.000000000 18708356 3906481991
10 9 0 -4559.0610629935 -0.0000000000 0.000000358 0.000000200 0.000000000 0.000000000 17923775 3906560816
11 10 0 -4559.0610629935 0.0000000000 0.000000111 0.000000033 0.000000000 0.000000000 17372109 3906601995
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0610629935 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.25 TOTAL CPU TIME= 11769.8 ( 196.2 MIN)
TOTAL WALL CLOCK TIME= 2234.6 SECONDS, CPU UTILIZATION IS 526.70%
RHF RI MP2 ENERGY
ESCF= -4559.0610629935
E(2)= -7.6652232701
E(MP2)= -4566.7262862636
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.929854 1.346732 10.332498 21.608183
iFrag= 32 jFrag= 18 EFMOc= -4566.726286264
iFrag= 32 jFrag= 18 EFMOu= -4559.061062994 Tr= 0.000139084
--------------------------------------
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 = -0.0003576742
--------------------------------------
FINAL EFP ENERGY = -0.0003576742
----------------------------------------
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)
-6.249728 -4.782544 -12.282230 14.587152
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.196761 -6.362523 8.523129 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.569261 1.432896 7.739730 8.279959
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.593529 -6.276691 4.126490 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.680467 -3.349648 -4.542500 6.737973
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 100 56 corr= MP2 , LL1= 780 ID= 2060
-----------------------
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 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 -4559.0664074620 -4559.0664074620 0.040162192 0.000000000 0.000000000 1.000000000 25286478 3905450007
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0566412340 0.0097662281 0.010930033 0.003161863 0.000000000 0.000000000 24870858 3905806663
3 2 0 -4559.0569628621 -0.0003216281 0.005234361 0.001019878 0.000000000 0.000000000 24357775 3905906046
4 3 0 -4559.0570038398 -0.0000409777 0.000694943 0.000416423 0.000000000 0.000000000 24085546 3905944907
5 4 0 -4559.0570076938 -0.0000038540 0.000261215 0.000110460 0.000000000 0.000000000 23363671 3906034516
6 5 0 -4559.0570079781 -0.0000002842 0.000114266 0.000027007 0.000000000 0.000000000 22728037 3906121865
7 6 0 -4559.0570080114 -0.0000000333 0.000015947 0.000006232 0.000000000 0.000000000 22128519 3906185496
8 7 0 -4559.0570080125 -0.0000000011 0.000008443 0.000002080 0.000000000 0.000000000 21037765 3906290483
9 8 0 -4559.0570080127 -0.0000000002 0.000001588 0.000000914 0.000000000 0.000000000 20643426 3906327370
10 9 0 -4559.0570080127 0.0000000000 0.000000290 0.000000215 0.000000000 0.000000000 19636562 3906411809
11 10 0 -4559.0570080127 -0.0000000000 0.000000103 0.000000039 0.000000000 0.000000000 19072735 3906473676
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.9 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0570080127 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.36 TOTAL CPU TIME= 12324.1 ( 205.4 MIN)
TOTAL WALL CLOCK TIME= 2333.0 SECONDS, CPU UTILIZATION IS 528.26%
RHF RI MP2 ENERGY
ESCF= -4559.0570080127
E(2)= -7.6663331847
E(MP2)= -4566.7233411974
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.551236 -3.491288 -4.595362 6.776262
iFrag= 100 jFrag= 56 EFMOc= -4566.723341197
iFrag= 100 jFrag= 56 EFMOu= -4559.057008013 Tr= 0.000357674
--------------------------------------
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 = -0.0002098642
--------------------------------------
FINAL EFP ENERGY = -0.0002098642
----------------------------------------
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)
-13.326954 8.468844 -6.677069 17.143870
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.697055 -0.959175 -2.153788 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.031545 -1.782153 16.303398 17.844312
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.188724 -3.351605 -1.119897 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.295409 6.686691 9.626329 13.304519
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 67 45 corr= MP2 , LL1= 780 ID= 2189
-----------------------
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 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 -4559.0440818848 -4559.0440818848 0.032695761 0.000000000 0.000000000 1.000000000 26104172 3905021970
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0448360637 -0.0007541790 0.006743735 0.001974021 0.000000000 0.000000000 24632205 3905736287
3 2 0 -4559.0448987767 -0.0000627130 0.002568581 0.000423493 0.000000000 0.000000000 23680049 3905899068
4 3 0 -4559.0449051286 -0.0000063519 0.000360347 0.000204860 0.000000000 0.000000000 23203951 3905962482
5 4 0 -4559.0449059107 -0.0000007821 0.000166150 0.000079302 0.000000000 0.000000000 22006100 3906105250
6 5 0 -4559.0449059665 -0.0000000559 0.000062295 0.000018177 0.000000000 0.000000000 21105294 3906226368
7 6 0 -4559.0449059735 -0.0000000070 0.000004837 0.000002339 0.000000000 0.000000000 20459592 3906288846
8 7 0 -4559.0449059737 -0.0000000002 0.000002819 0.000000897 0.000000000 0.000000000 19079571 3906424998
9 8 0 -4559.0449059737 -0.0000000000 0.000000729 0.000000309 0.000000000 0.000000000 18664323 3906465599
10 9 0 -4559.0449059737 -0.0000000000 0.000000188 0.000000128 0.000000000 0.000000000 17659706 3906561593
11 10 0 -4559.0449059737 0.0000000000 0.000000079 0.000000019 0.000000000 0.000000000 17051964 3906616397
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0449059737 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.05 TOTAL CPU TIME= 12878.2 ( 214.6 MIN)
TOTAL WALL CLOCK TIME= 2431.0 SECONDS, CPU UTILIZATION IS 529.76%
RHF RI MP2 ENERGY
ESCF= -4559.0449059737
E(2)= -7.6640362877
E(MP2)= -4566.7089422615
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.279817 6.685917 9.625503 13.296161
iFrag= 67 jFrag= 45 EFMOc= -4566.708942261
iFrag= 67 jFrag= 45 EFMOu= -4559.044905974 Tr= 0.000209864
--------------------------------------
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 = -0.0002127790
--------------------------------------
FINAL EFP ENERGY = -0.0002127790
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
2.174656 3.608286 -2.562328 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.617576 -14.441834 -12.489590 21.378825
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-8.634148 -4.428350 1.441665 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.947699 -12.103248 4.576644 15.731993
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.229746 -0.410032 -0.560332 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.669877 -26.545081 -7.912945 27.707486
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 49 30 corr= MP2 , LL1= 780 ID= 2315
-----------------------
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 49 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 -4559.0458959872 -4559.0458959872 0.032996048 0.000000000 0.000000000 1.000000000 25766000 3905380243
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0413393994 0.0045565878 0.008682987 0.003720831 0.000000000 0.000000000 24497242 3905853450
3 2 0 -4559.0415754746 -0.0002360752 0.004575698 0.001497088 0.000000000 0.000000000 23945141 3905946191
4 3 0 -4559.0416069539 -0.0000314794 0.000927373 0.000739474 0.000000000 0.000000000 23728896 3905979014
5 4 0 -4559.0416098938 -0.0000029399 0.000200550 0.000086621 0.000000000 0.000000000 23087764 3906060512
6 5 0 -4559.0416100705 -0.0000001767 0.000091212 0.000020154 0.000000000 0.000000000 22450028 3906151310
7 6 0 -4559.0416100875 -0.0000000170 0.000012120 0.000006272 0.000000000 0.000000000 22037226 3906206246
8 7 0 -4559.0416100883 -0.0000000008 0.000005275 0.000003032 0.000000000 0.000000000 21255470 3906290103
9 8 0 -4559.0416100885 -0.0000000002 0.000001558 0.000000705 0.000000000 0.000000000 20856402 3906326030
10 9 0 -4559.0416100885 -0.0000000000 0.000000386 0.000000160 0.000000000 0.000000000 19824194 3906409902
11 10 0 -4559.0416100885 0.0000000000 0.000000140 0.000000036 0.000000000 0.000000000 19385079 3906455869
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.9 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0416100885 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.82 TOTAL CPU TIME= 13433.0 ( 223.9 MIN)
TOTAL WALL CLOCK TIME= 2529.2 SECONDS, CPU UTILIZATION IS 531.11%
RHF RI MP2 ENERGY
ESCF= -4559.0416100885
E(2)= -7.6690081883
E(MP2)= -4566.7106182768
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.883717 -26.626275 -7.979485 27.810279
iFrag= 49 jFrag= 30 EFMOc= -4566.710618277
iFrag= 49 jFrag= 30 EFMOu= -4559.041610088 Tr= 0.000212779
--------------------------------------
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 = -0.0003577715
--------------------------------------
FINAL EFP ENERGY = -0.0003577715
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-8.197283 -5.146932 -7.080985 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.741411 8.940016 -3.774170 11.815874
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.384456 15.865391 -13.123112 20.593069
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.378613 -2.452127 -5.848067 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.125867 24.805408 -16.897281 30.848085
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 36 15 corr= MP2 , LL1= 780 ID= 2440
-----------------------
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 36 15 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 -4559.0287845406 -4559.0287845406 0.051348459 0.000000000 0.000000000 1.000000000 34169672 3904457041
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0184733547 0.0103111860 0.011759100 0.004205487 0.000000000 0.000000000 33027295 3905023651
3 2 0 -4559.0188469998 -0.0003736451 0.004914548 0.001126025 0.000000000 0.000000000 32010140 3905195534
4 3 0 -4559.0188883106 -0.0000413108 0.000710598 0.000378216 0.000000000 0.000000000 31503589 3905264922
5 4 0 -4559.0188921975 -0.0000038870 0.000293300 0.000111261 0.000000000 0.000000000 30344011 3905408291
6 5 0 -4559.0188925950 -0.0000003975 0.000112635 0.000033330 0.000000000 0.000000000 29332563 3905547098
7 6 0 -4559.0188926419 -0.0000000469 0.000017643 0.000005787 0.000000000 0.000000000 28519816 3905634320
8 7 0 -4559.0188926433 -0.0000000014 0.000008872 0.000002391 0.000000000 0.000000000 26732060 3905822805
9 8 0 -4559.0188926435 -0.0000000002 0.000001891 0.000001287 0.000000000 0.000000000 26147707 3905879572
10 9 0 -4559.0188926435 -0.0000000000 0.000000325 0.000000166 0.000000000 0.000000000 24377708 3906041609
11 10 0 -4559.0188926436 -0.0000000000 0.000000124 0.000000042 0.000000000 0.000000000 23045904 3906166237
-----------------
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 -4559.0188926436 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 555.48 TOTAL CPU TIME= 13988.5 ( 233.1 MIN)
TOTAL WALL CLOCK TIME= 2627.4 SECONDS, CPU UTILIZATION IS 532.41%
RHF RI MP2 ENERGY
ESCF= -4559.0188926436
E(2)= -7.6707764293
E(MP2)= -4566.6896690729
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.176952 24.797293 -16.872958 30.840089
iFrag= 36 jFrag= 15 EFMOc= -4566.689669073
iFrag= 36 jFrag= 15 EFMOu= -4559.018892644 Tr= 0.000357771
--------------------------------------
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 = -0.0003623365
--------------------------------------
FINAL EFP ENERGY = -0.0003623365
----------------------------------------
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)
-7.409429 7.184813 12.577968 16.270417
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.175633 -4.605399 3.802990 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.082934 -1.245145 0.348030 19.126679
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.795527 1.109054 -0.343727 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.673505 5.939667 12.925998 18.401951
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 73 12 corr= MP2 , LL1= 780 ID= 2567
-----------------------
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 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 -4559.0813531779 -4559.0813531779 0.058170562 0.000000000 0.000000000 1.000000000 24239675 3905386198
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0443418466 0.0370113313 0.014290969 0.004594001 0.000000000 0.000000000 23521618 3905881083
3 2 0 -4559.0447571406 -0.0004152940 0.006578008 0.001378619 0.000000000 0.000000000 22928631 3905991899
4 3 0 -4559.0448083375 -0.0000511968 0.001310524 0.000584033 0.000000000 0.000000000 22628514 3906033365
5 4 0 -4559.0448136644 -0.0000053269 0.000412001 0.000133861 0.000000000 0.000000000 21901520 3906129285
6 5 0 -4559.0448142003 -0.0000005359 0.000156291 0.000041282 0.000000000 0.000000000 21308116 3906208379
7 6 0 -4559.0448142617 -0.0000000615 0.000019784 0.000007241 0.000000000 0.000000000 20689492 3906285673
8 7 0 -4559.0448142634 -0.0000000016 0.000013668 0.000005196 0.000000000 0.000000000 19856595 3906360471
9 8 0 -4559.0448142637 -0.0000000003 0.000001556 0.000000907 0.000000000 0.000000000 19602331 3906391699
10 9 0 -4559.0448142637 -0.0000000000 0.000000306 0.000000117 0.000000000 0.000000000 18917732 3906463083
11 10 0 -4559.0448142637 0.0000000000 0.000000173 0.000000048 0.000000000 0.000000000 18424630 3906514682
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0448142637 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.92 TOTAL CPU TIME= 14542.4 ( 242.4 MIN)
TOTAL WALL CLOCK TIME= 2725.5 SECONDS, CPU UTILIZATION IS 533.57%
RHF RI MP2 ENERGY
ESCF= -4559.0448142637
E(2)= -7.6657738297
E(MP2)= -4566.7105880933
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.629851 5.969392 12.991941 18.430345
iFrag= 73 jFrag= 12 EFMOc= -4566.710588093
iFrag= 73 jFrag= 12 EFMOu= -4559.044814264 Tr= 0.000362336
--------------------------------------
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 = -0.0004850469
--------------------------------------
FINAL EFP ENERGY = -0.0004850469
----------------------------------------
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)
3.781614 -1.713303 0.939318 4.256564
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
9.074503 -5.744034 -0.086006 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.066502 8.424801 -6.631574 16.902323
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.531003 -1.275367 -1.018653 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.284887 6.711498 -5.692256 12.792776
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 74 67 corr= MP2 , LL1= 780 ID= 2694
-----------------------
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 67 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 -4559.0598715040 -4559.0598715040 0.049022150 0.000000000 0.000000000 1.000000000 33996378 3904358404
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0322210530 0.0276504510 0.015397039 0.003981430 0.000000000 0.000000000 33000582 3904977431
3 2 0 -4559.0328878945 -0.0006668415 0.008162622 0.001247966 0.000000000 0.000000000 31833844 3905177495
4 3 0 -4559.0329917495 -0.0001038550 0.001274203 0.000655774 0.000000000 0.000000000 31351356 3905245625
5 4 0 -4559.0330013016 -0.0000095521 0.000398361 0.000135131 0.000000000 0.000000000 29990937 3905414760
6 5 0 -4559.0330019138 -0.0000006122 0.000153391 0.000040403 0.000000000 0.000000000 28864332 3905566484
7 6 0 -4559.0330019784 -0.0000000646 0.000018797 0.000006875 0.000000000 0.000000000 27811570 3905703319
8 7 0 -4559.0330019805 -0.0000000020 0.000009923 0.000003454 0.000000000 0.000000000 26395260 3905847465
9 8 0 -4559.0330019808 -0.0000000004 0.000002842 0.000001001 0.000000000 0.000000000 25779767 3905910555
10 9 0 -4559.0330019809 -0.0000000000 0.000000293 0.000000152 0.000000000 0.000000000 24048910 3906060944
11 10 0 -4559.0330019809 0.0000000000 0.000000180 0.000000046 0.000000000 0.000000000 22798580 3906182953
-----------------
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 -4559.0330019809 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 555.62 TOTAL CPU TIME= 15098.0 ( 251.6 MIN)
TOTAL WALL CLOCK TIME= 2823.8 SECONDS, CPU UTILIZATION IS 534.67%
RHF RI MP2 ENERGY
ESCF= -4559.0330019809
E(2)= -7.6721496564
E(MP2)= -4566.7051516372
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.266757 6.630436 -5.808197 12.789473
iFrag= 74 jFrag= 67 EFMOc= -4566.705151637
iFrag= 74 jFrag= 67 EFMOu= -4559.033001981 Tr= 0.000485047
--------------------------------------
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 = -0.0004449577
--------------------------------------
FINAL EFP ENERGY = -0.0004449577
----------------------------------------
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)
13.939600 14.061700 -2.268780 19.929657
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.105441 2.081255 3.046020 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.329489 9.690794 7.970662 14.531495
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.699257 1.982838 1.800058 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.269089 23.752494 5.701881 32.389297
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 76 48 corr= MP2 , LL1= 780 ID= 2822
-----------------------
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 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 -4559.0598428381 -4559.0598428381 0.045531132 0.000000000 0.000000000 1.000000000 29408690 3904832433
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0513270858 0.0085157523 0.013345875 0.005329409 0.000000000 0.000000000 28461137 3905408989
3 2 0 -4559.0518383558 -0.0005112700 0.006163498 0.001745983 0.000000000 0.000000000 27607883 3905565528
4 3 0 -4559.0518964626 -0.0000581068 0.000995578 0.000634140 0.000000000 0.000000000 27212790 3905627508
5 4 0 -4559.0519012753 -0.0000048127 0.000263487 0.000152807 0.000000000 0.000000000 26135522 3905758270
6 5 0 -4559.0519017827 -0.0000005074 0.000118459 0.000038103 0.000000000 0.000000000 25264724 3905877981
7 6 0 -4559.0519018319 -0.0000000492 0.000018628 0.000006003 0.000000000 0.000000000 24680443 3905946769
8 7 0 -4559.0519018337 -0.0000000017 0.000009520 0.000002590 0.000000000 0.000000000 23426243 3906073345
9 8 0 -4559.0519018340 -0.0000000003 0.000002730 0.000001264 0.000000000 0.000000000 22927832 3906121268
10 9 0 -4559.0519018340 -0.0000000000 0.000000418 0.000000319 0.000000000 0.000000000 21679744 3906231425
11 10 0 -4559.0519018340 -0.0000000000 0.000000155 0.000000052 0.000000000 0.000000000 20999440 3906307595
12 11 0 -4559.0519018340 0.0000000000 0.000000040 0.000000016 0.000000000 0.000000000 20409474 3906371264
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.3 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0519018340 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.23 TOTAL CPU TIME= 15658.2 ( 261.0 MIN)
TOTAL WALL CLOCK TIME= 2923.2 SECONDS, CPU UTILIZATION IS 535.66%
RHF RI MP2 ENERGY
ESCF= -4559.0519018340
E(2)= -7.6730910788
E(MP2)= -4566.7249929128
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.246101 23.683020 5.713310 32.325287
iFrag= 76 jFrag= 48 EFMOc= -4566.724992913
iFrag= 76 jFrag= 48 EFMOu= -4559.051901834 Tr= 0.000444958
--------------------------------------
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 = -0.0003579825
--------------------------------------
FINAL EFP ENERGY = -0.0003579825
----------------------------------------
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)
-2.495762 7.222433 -6.313345 9.912149
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
7.905276 1.654618 -8.566142 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.543930 -0.473130 -6.790708 20.695477
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.091947 -1.305389 0.004347 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.048169 6.749304 -13.104053 22.536844
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 106 41 corr= MP2 , LL1= 780 ID= 2950
-----------------------
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 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 -4559.0946529288 -4559.0946529288 0.051062449 0.000000000 0.000000000 1.000000000 22756732 3905548529
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0610001363 0.0336527925 0.013556761 0.005654123 0.000000000 0.000000000 21855064 3906039480
3 2 0 -4559.0614929424 -0.0004928061 0.007686633 0.002060420 0.000000000 0.000000000 21331238 3906146002
4 3 0 -4559.0615853575 -0.0000924151 0.001273242 0.000728466 0.000000000 0.000000000 21135065 3906175199
5 4 0 -4559.0615922654 -0.0000069079 0.000424390 0.000145666 0.000000000 0.000000000 20386356 3906272268
6 5 0 -4559.0615927831 -0.0000005176 0.000105315 0.000035613 0.000000000 0.000000000 19781210 3906339528
7 6 0 -4559.0615928240 -0.0000000409 0.000025649 0.000007601 0.000000000 0.000000000 19163868 3906408438
8 7 0 -4559.0615928259 -0.0000000019 0.000008903 0.000003789 0.000000000 0.000000000 18670290 3906461383
9 8 0 -4559.0615928261 -0.0000000002 0.000001726 0.000001164 0.000000000 0.000000000 18383553 3906497849
10 9 0 -4559.0615928261 -0.0000000000 0.000000461 0.000000191 0.000000000 0.000000000 17894939 3906545554
11 10 0 -4559.0615928261 -0.0000000000 0.000000204 0.000000055 0.000000000 0.000000000 17488893 3906589710
12 11 0 -4559.0615928261 0.0000000000 0.000000037 0.000000013 0.000000000 0.000000000 17032739 3906632333
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 60.5 SECONDS ( 5.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0615928261 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.59 TOTAL CPU TIME= 16217.8 ( 270.3 MIN)
TOTAL WALL CLOCK TIME= 3022.2 SECONDS, CPU UTILIZATION IS 536.62%
RHF RI MP2 ENERGY
ESCF= -4559.0615928261
E(2)= -7.6649483238
E(MP2)= -4566.7265411499
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.133756 6.762375 -13.272584 22.703674
iFrag= 106 jFrag= 41 EFMOc= -4566.726541150
iFrag= 106 jFrag= 41 EFMOu= -4559.061592826 Tr= 0.000357982
--------------------------------------
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 = -0.0002787785
--------------------------------------
FINAL EFP ENERGY = -0.0002787785
----------------------------------------
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)
2.428981 1.394630 7.660247 8.156245
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.429802 -2.908890 0.746084 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.816528 7.761400 2.376819 8.591939
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.116520 -4.635706 4.634606 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.387547 9.156030 10.037066 13.591386
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 56 54 corr= MP2 , LL1= 780 ID= 3077
-----------------------
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 54 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 -4559.0345233623 -4559.0345233623 0.048661627 0.000000000 0.000000000 1.000000000 23293040 3905545513
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0202937061 0.0142296561 0.009746149 0.004170980 0.000000000 0.000000000 22346774 3906008061
3 2 0 -4559.0205617535 -0.0002680473 0.004873931 0.001613895 0.000000000 0.000000000 21827737 3906108590
4 3 0 -4559.0206007959 -0.0000390424 0.000891485 0.000667336 0.000000000 0.000000000 21613460 3906141846
5 4 0 -4559.0206046619 -0.0000038661 0.000292096 0.000090239 0.000000000 0.000000000 20955222 3906230530
6 5 0 -4559.0206048865 -0.0000002246 0.000096660 0.000031671 0.000000000 0.000000000 20404325 3906306889
7 6 0 -4559.0206049089 -0.0000000224 0.000015034 0.000004755 0.000000000 0.000000000 19870079 3906370489
8 7 0 -4559.0206049098 -0.0000000009 0.000006362 0.000002976 0.000000000 0.000000000 19154858 3906431207
9 8 0 -4559.0206049100 -0.0000000001 0.000001288 0.000000631 0.000000000 0.000000000 18872454 3906462278
10 9 0 -4559.0206049100 0.0000000000 0.000000346 0.000000134 0.000000000 0.000000000 18409084 3906513760
11 10 0 -4559.0206049100 -0.0000000000 0.000000090 0.000000052 0.000000000 0.000000000 18132742 3906549122
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0206049100 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 555.20 TOTAL CPU TIME= 16773.0 ( 279.6 MIN)
TOTAL WALL CLOCK TIME= 3120.5 SECONDS, CPU UTILIZATION IS 537.51%
RHF RI MP2 ENERGY
ESCF= -4559.0206049100
E(2)= -7.6655027917
E(MP2)= -4566.6861077017
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.519744 9.136507 10.123722 13.646818
iFrag= 56 jFrag= 54 EFMOc= -4566.686107702
iFrag= 56 jFrag= 54 EFMOu= -4559.020604910 Tr= 0.000278779
--------------------------------------
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 = -0.0002918194
--------------------------------------
FINAL EFP ENERGY = -0.0002918194
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
8.125845 -5.876906 -6.938273 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.011575 3.662472 -0.625990 4.225163
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.177364 4.303952 -0.441470 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.449803 -10.785716 6.418695 14.595577
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.151604 -0.786477 -3.689872 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.461378 -7.123243 5.792706 13.183843
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 81 44 corr= MP2 , LL1= 780 ID= 3203
-----------------------
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 81 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 -4559.0833986417 -4559.0833986417 0.055287379 0.000000000 0.000000000 1.000000000 23504867 3905545707
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0660743666 0.0173242751 0.007448363 0.002781981 0.000000000 0.000000000 22522294 3906018723
3 2 0 -4559.0662768018 -0.0002024353 0.005256389 0.001148495 0.000000000 0.000000000 22070852 3906107121
4 3 0 -4559.0663087057 -0.0000319039 0.000831935 0.000444831 0.000000000 0.000000000 21903236 3906133226
5 4 0 -4559.0663118303 -0.0000031246 0.000212422 0.000093407 0.000000000 0.000000000 21317283 3906207841
6 5 0 -4559.0663120485 -0.0000002182 0.000114349 0.000030997 0.000000000 0.000000000 20816577 3906269377
7 6 0 -4559.0663120744 -0.0000000259 0.000016420 0.000005702 0.000000000 0.000000000 20313382 3906327684
8 7 0 -4559.0663120752 -0.0000000008 0.000007031 0.000003662 0.000000000 0.000000000 19738350 3906385546
9 8 0 -4559.0663120754 -0.0000000001 0.000001169 0.000000911 0.000000000 0.000000000 19466054 3906416024
10 9 0 -4559.0663120754 0.0000000000 0.000000307 0.000000106 0.000000000 0.000000000 18740095 3906487217
11 10 0 -4559.0663120754 0.0000000000 0.000000154 0.000000032 0.000000000 0.000000000 18376537 3906528486
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0663120754 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.18 TOTAL CPU TIME= 17327.2 ( 288.8 MIN)
TOTAL WALL CLOCK TIME= 3218.6 SECONDS, CPU UTILIZATION IS 538.35%
RHF RI MP2 ENERGY
ESCF= -4559.0663120754
E(2)= -7.6656428755
E(MP2)= -4566.7319549509
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.472605 -7.109945 5.746046 13.164293
iFrag= 81 jFrag= 44 EFMOc= -4566.731954951
iFrag= 81 jFrag= 44 EFMOu= -4559.066312075 Tr= 0.000291819
--------------------------------------
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 0.0118673014 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 -0.0000000001 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= 56.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
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= 554.62 TOTAL CPU TIME= 17881.8 ( 298.0 MIN)
TOTAL WALL CLOCK TIME= 3316.8 SECONDS, CPU UTILIZATION IS 539.12%
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 = -0.0001191900
--------------------------------------
FINAL EFP ENERGY = -0.0001191900
----------------------------------------
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)
-11.014872 7.869886 8.156621 15.804840
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.977238 -3.622978 5.729009 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.231488 8.166348 -14.989770 17.586584
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.602154 -1.983445 4.039564 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.246360 16.036234 -6.833150 23.158243
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 22 6 corr= MP2 , LL1= 780 ID= 3458
-----------------------
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 6 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 -4559.0503109237 -4559.0503109237 0.025595289 0.000000000 0.000000000 1.000000000 25140801 3905380031
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0498618435 0.0004490801 0.006069320 0.002472220 0.000000000 0.000000000 23857821 3905901553
3 2 0 -4559.0499333120 -0.0000714685 0.002640563 0.000746266 0.000000000 0.000000000 23170141 3906013118
4 3 0 -4559.0499418394 -0.0000085274 0.000383327 0.000255456 0.000000000 0.000000000 22873912 3906052367
5 4 0 -4559.0499427036 -0.0000008641 0.000142362 0.000069266 0.000000000 0.000000000 21976556 3906158139
6 5 0 -4559.0499427537 -0.0000000501 0.000047490 0.000015603 0.000000000 0.000000000 21241458 3906254475
7 6 0 -4559.0499427601 -0.0000000064 0.000007953 0.000002296 0.000000000 0.000000000 20887374 3906289189
8 7 0 -4559.0499427603 -0.0000000002 0.000002687 0.000000852 0.000000000 0.000000000 19684122 3906409672
9 8 0 -4559.0499427603 -0.0000000000 0.000000553 0.000000326 0.000000000 0.000000000 19268090 3906447403
10 9 0 -4559.0499427603 -0.0000000000 0.000000168 0.000000172 0.000000000 0.000000000 18419814 3906516864
11 10 0 -4559.0499427603 0.0000000000 0.000000058 0.000000026 0.000000000 0.000000000 17793311 3906582793
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0499427603 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.98 TOTAL CPU TIME= 18436.8 ( 307.3 MIN)
TOTAL WALL CLOCK TIME= 3415.1 SECONDS, CPU UTILIZATION IS 539.86%
RHF RI MP2 ENERGY
ESCF= -4559.0499427603
E(2)= -7.6651288551
E(MP2)= -4566.7150716154
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.267899 16.035700 -6.748421 23.147216
iFrag= 22 jFrag= 6 EFMOc= -4566.715071615
iFrag= 22 jFrag= 6 EFMOu= -4559.049942760 Tr= 0.000119190
--------------------------------------
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 = -0.0003588510
--------------------------------------
FINAL EFP ENERGY = -0.0003588510
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.648810 10.418020 -2.404061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.905896 -1.030138 6.838470 7.173444
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.446860 3.523964 -6.271998 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.918776 -4.227678 -5.649375 7.115676
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.100975 6.970992 -4.338030 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.987120 -5.257816 1.189095 5.480236
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 31 13 corr= MP2 , LL1= 780 ID= 3585
-----------------------
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 31 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 -4559.0746622706 -4559.0746622706 0.042740688 0.000000000 0.000000000 1.000000000 28741758 3904835867
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0694610657 0.0052012049 0.011437279 0.003027066 0.000000000 0.000000000 27417736 3905498107
3 2 0 -4559.0697639033 -0.0003028376 0.005697800 0.001076707 0.000000000 0.000000000 26463416 3905655140
4 3 0 -4559.0698070559 -0.0000431526 0.000930051 0.000502372 0.000000000 0.000000000 26050324 3905717006
5 4 0 -4559.0698107357 -0.0000036798 0.000263308 0.000095370 0.000000000 0.000000000 24991249 3905854131
6 5 0 -4559.0698109459 -0.0000002102 0.000077348 0.000026132 0.000000000 0.000000000 23889463 3906000306
7 6 0 -4559.0698109659 -0.0000000200 0.000020435 0.000006335 0.000000000 0.000000000 23083265 3906097175
8 7 0 -4559.0698109667 -0.0000000009 0.000008566 0.000001862 0.000000000 0.000000000 21862435 3906221006
9 8 0 -4559.0698109669 -0.0000000001 0.000001610 0.000000859 0.000000000 0.000000000 21275535 3906276321
10 9 0 -4559.0698109669 -0.0000000000 0.000000283 0.000000140 0.000000000 0.000000000 19760624 3906408488
11 10 0 -4559.0698109669 0.0000000000 0.000000152 0.000000043 0.000000000 0.000000000 19070694 3906474786
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0698109669 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.05 TOTAL CPU TIME= 18990.9 ( 316.5 MIN)
TOTAL WALL CLOCK TIME= 3513.4 SECONDS, CPU UTILIZATION IS 540.53%
RHF RI MP2 ENERGY
ESCF= -4559.0698109669
E(2)= -7.6671624330
E(MP2)= -4566.7369733999
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.984454 -5.133044 1.253745 5.374864
iFrag= 31 jFrag= 13 EFMOc= -4566.736973400
iFrag= 31 jFrag= 13 EFMOu= -4559.069810967 Tr= 0.000358851
--------------------------------------
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 = -0.0005091284
--------------------------------------
FINAL EFP ENERGY = -0.0005091284
----------------------------------------
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)
7.204063 7.669273 3.250769 11.012891
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.095126 7.247145 -8.360755 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.669953 -2.136643 -20.504424 20.787624
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.425159 7.519284 -8.141722 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.874016 5.532631 -17.253655 20.634796
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 87 58 corr= MP2 , LL1= 780 ID= 3712
-----------------------
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 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 -4559.0783292117 -4559.0783292117 0.065489037 0.000000000 0.000000000 1.000000000 31681146 3904607331
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0546026286 0.0237265831 0.011698199 0.005318791 0.000000000 0.000000000 30465467 3905225519
3 2 0 -4559.0551323822 -0.0005297536 0.005952541 0.001640764 0.000000000 0.000000000 29466912 3905401957
4 3 0 -4559.0552023486 -0.0000699664 0.001031856 0.000550831 0.000000000 0.000000000 28995021 3905469980
5 4 0 -4559.0552080215 -0.0000056728 0.000324894 0.000133154 0.000000000 0.000000000 27630509 3905623254
6 5 0 -4559.0552085662 -0.0000005447 0.000129782 0.000037984 0.000000000 0.000000000 26494989 3905769393
7 6 0 -4559.0552086190 -0.0000000528 0.000026520 0.000007433 0.000000000 0.000000000 25615871 3905874888
8 7 0 -4559.0552086211 -0.0000000021 0.000011156 0.000004778 0.000000000 0.000000000 24150893 3906026896
9 8 0 -4559.0552086214 -0.0000000003 0.000002170 0.000001774 0.000000000 0.000000000 23570418 3906083195
10 9 0 -4559.0552086214 -0.0000000000 0.000000435 0.000000149 0.000000000 0.000000000 22134454 3906214730
11 10 0 -4559.0552086214 0.0000000000 0.000000153 0.000000047 0.000000000 0.000000000 21137210 3906307737
12 11 0 -4559.0552086214 0.0000000000 0.000000039 0.000000010 0.000000000 0.000000000 20387703 3906382294
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.4 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.3, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0552086214 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.21 TOTAL CPU TIME= 19550.1 ( 325.8 MIN)
TOTAL WALL CLOCK TIME= 3612.5 SECONDS, CPU UTILIZATION IS 541.18%
RHF RI MP2 ENERGY
ESCF= -4559.0552086214
E(2)= -7.6700478207
E(MP2)= -4566.7252564422
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.859086 5.493099 -17.221350 20.590061
iFrag= 87 jFrag= 58 EFMOc= -4566.725256442
iFrag= 87 jFrag= 58 EFMOu= -4559.055208621 Tr= 0.000509128
--------------------------------------
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 = -0.0002100240
--------------------------------------
FINAL EFP ENERGY = -0.0002100240
----------------------------------------
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)
-9.090321 2.301259 7.053121 11.733552
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.723119 -5.575458 8.359485 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.737659 3.641435 -15.453144 22.354722
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.047271 -1.921253 2.275426 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.827980 5.942694 -8.400023 26.875725
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 89 14 corr= MP2 , LL1= 780 ID= 3841
-----------------------
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 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 -4559.0503824701 -4559.0503824701 0.033070975 0.000000000 0.000000000 1.000000000 21346715 3905799361
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0481616658 0.0022208043 0.007637846 0.002539888 0.000000000 0.000000000 20539730 3906218139
3 2 0 -4559.0482836399 -0.0001219741 0.003107038 0.000786662 0.000000000 0.000000000 20023236 3906304131
4 3 0 -4559.0482978303 -0.0000141904 0.000305456 0.000146877 0.000000000 0.000000000 19766333 3906338340
5 4 0 -4559.0482983468 -0.0000005165 0.000166748 0.000060411 0.000000000 0.000000000 19198710 3906399130
6 5 0 -4559.0482984554 -0.0000001086 0.000039231 0.000014792 0.000000000 0.000000000 18761763 3906454444
7 6 0 -4559.0482984614 -0.0000000060 0.000010609 0.000004426 0.000000000 0.000000000 18277560 3906506411
8 7 0 -4559.0482984617 -0.0000000003 0.000004642 0.000001276 0.000000000 0.000000000 17738789 3906562160
9 8 0 -4559.0482984617 -0.0000000000 0.000000604 0.000000306 0.000000000 0.000000000 17448295 3906590434
10 9 0 -4559.0482984618 -0.0000000000 0.000000291 0.000000189 0.000000000 0.000000000 16786667 3906650421
11 10 0 -4559.0482984618 0.0000000000 0.000000063 0.000000031 0.000000000 0.000000000 16526446 3906671263
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.3 SECONDS ( 5.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0482984618 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.59 TOTAL CPU TIME= 20103.7 ( 335.1 MIN)
TOTAL WALL CLOCK TIME= 3710.5 SECONDS, CPU UTILIZATION IS 541.81%
RHF RI MP2 ENERGY
ESCF= -4559.0482984618
E(2)= -7.6641666034
E(MP2)= -4566.7124650651
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.757005 6.008442 -8.444840 26.838890
iFrag= 89 jFrag= 14 EFMOc= -4566.712465065
iFrag= 89 jFrag= 14 EFMOu= -4559.048298462 Tr= 0.000210024
--------------------------------------
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 = -0.0003451393
--------------------------------------
FINAL EFP ENERGY = -0.0003451393
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.818443 4.300672 9.605564 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.576414 -10.384835 5.222789 12.161951
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.648810 10.418020 -2.404061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.929940 -0.923697 6.691307 7.025061
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.233626 7.359346 3.600752 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.646475 -11.308532 11.914096 16.508769
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 64 31 corr= MP2 , LL1= 780 ID= 3968
-----------------------
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 64 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 -4559.0820833604 -4559.0820833604 0.083078935 0.000000000 0.000000000 1.000000000 28586352 3904725939
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0526487603 0.0294346001 0.008176381 0.003149972 0.000000000 0.000000000 27039414 3905491693
3 2 0 -4559.0529062509 -0.0002574906 0.005383593 0.001058842 0.000000000 0.000000000 26122154 3905661399
4 3 0 -4559.0529409664 -0.0000347155 0.000777865 0.000436487 0.000000000 0.000000000 25678229 3905722789
5 4 0 -4559.0529441149 -0.0000031486 0.000315064 0.000122200 0.000000000 0.000000000 24428318 3905871403
6 5 0 -4559.0529444702 -0.0000003553 0.000185457 0.000030884 0.000000000 0.000000000 23460448 3906000877
7 6 0 -4559.0529445079 -0.0000000376 0.000021811 0.000005663 0.000000000 0.000000000 22635420 3906104637
8 7 0 -4559.0529445088 -0.0000000010 0.000008714 0.000002363 0.000000000 0.000000000 21334062 3906233838
9 8 0 -4559.0529445090 -0.0000000002 0.000001782 0.000001247 0.000000000 0.000000000 20946579 3906274406
10 9 0 -4559.0529445090 0.0000000000 0.000000289 0.000000167 0.000000000 0.000000000 19611536 3906400791
11 10 0 -4559.0529445090 -0.0000000000 0.000000259 0.000000052 0.000000000 0.000000000 18902591 3906476317
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 56.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0529445090 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.86 TOTAL CPU TIME= 20657.5 ( 344.3 MIN)
TOTAL WALL CLOCK TIME= 3808.7 SECONDS, CPU UTILIZATION IS 542.38%
RHF RI MP2 ENERGY
ESCF= -4559.0529445090
E(2)= -7.6660610444
E(MP2)= -4566.7190055534
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.625391 -11.297959 11.892386 16.483768
iFrag= 64 jFrag= 31 EFMOc= -4566.719005553
iFrag= 64 jFrag= 31 EFMOu= -4559.052944509 Tr= 0.000345139
--------------------------------------
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 = -0.0005838221
--------------------------------------
FINAL EFP ENERGY = -0.0005838221
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.512111 3.331625 -7.121855 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.801737 -5.743742 4.215452 20.106365
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
6.383819 -6.190859 -0.270149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.233411 -4.501884 -12.148181 14.377088
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.947965 -1.429617 -3.696002 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.568326 -10.245626 -7.932729 18.051700
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 139 100 corr= MP2 , LL1= 780 ID= 4095
-----------------------
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 139 100 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 -4559.1332455058 -4559.1332455058 0.096155109 0.000000000 0.000000000 1.000000000 26246812 3905294212
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9985317505 0.1347137553 0.006913791 0.004969475 0.000000000 0.000000000 25551673 3905716593
3 2 0 -4558.9992050224 -0.0006732719 0.003128291 0.001058082 0.000000000 0.000000000 24904180 3905829848
4 3 0 -4558.9992726180 -0.0000675955 0.001219347 0.000711724 0.000000000 0.000000000 24601894 3905877171
5 4 0 -4558.9992809675 -0.0000083495 0.000249871 0.000124753 0.000000000 0.000000000 23840178 3905984711
6 5 0 -4558.9992814967 -0.0000005292 0.000212205 0.000047157 0.000000000 0.000000000 23244064 3906067085
7 6 0 -4558.9992815799 -0.0000000832 0.000022698 0.000009273 0.000000000 0.000000000 22898985 3906106524
8 7 0 -4558.9992815822 -0.0000000023 0.000007220 0.000002313 0.000000000 0.000000000 21690868 3906226599
9 8 0 -4558.9992815825 -0.0000000003 0.000002095 0.000001616 0.000000000 0.000000000 21283243 3906263398
10 9 0 -4558.9992815825 -0.0000000000 0.000000479 0.000000286 0.000000000 0.000000000 20482884 3906345003
11 10 0 -4558.9992815826 -0.0000000000 0.000000235 0.000000100 0.000000000 0.000000000 19757165 3906414935
12 11 0 -4558.9992815826 -0.0000000000 0.000000027 0.000000016 0.000000000 0.000000000 19112764 3906475540
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9992815826 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.58 TOTAL CPU TIME= 21217.1 ( 353.6 MIN)
TOTAL WALL CLOCK TIME= 3907.7 SECONDS, CPU UTILIZATION IS 542.95%
RHF RI MP2 ENERGY
ESCF= -4558.9992815826
E(2)= -7.6669857114
E(MP2)= -4566.6662672940
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.406609 -10.112791 -7.830448 17.818765
iFrag= 139 jFrag= 100 EFMOc= -4566.666267294
iFrag= 139 jFrag= 100 EFMOu= -4558.999281583 Tr= 0.000583822
--------------------------------------
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 = -0.0003097487
--------------------------------------
FINAL EFP ENERGY = -0.0003097487
----------------------------------------
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)
1.011372 -10.871868 -5.983566 12.450841
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.100985 -7.924582 -6.459049 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-8.649580 -6.426733 14.268851 17.880666
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.299165 -5.759598 -6.374531 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.638208 -17.298601 8.285285 20.645332
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 131 60 corr= MP2 , LL1= 780 ID= 4221
-----------------------
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 60 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 -4559.0990239191 -4559.0990239191 0.087977894 0.000000000 0.000000000 1.000000000 28457119 3904917321
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0389565211 0.0600673980 0.010197428 0.002872968 0.000000000 0.000000000 27429461 3905481225
3 2 0 -4559.0393050159 -0.0003484949 0.004100324 0.001151179 0.000000000 0.000000000 26547514 3905642234
4 3 0 -4559.0393435260 -0.0000385100 0.000919912 0.000516386 0.000000000 0.000000000 26061745 3905712142
5 4 0 -4559.0393471013 -0.0000035754 0.000309123 0.000172770 0.000000000 0.000000000 25012814 3905846356
6 5 0 -4559.0393476260 -0.0000005247 0.000167408 0.000046033 0.000000000 0.000000000 24193706 3905969643
7 6 0 -4559.0393476816 -0.0000000556 0.000016356 0.000008287 0.000000000 0.000000000 23369887 3906067763
8 7 0 -4559.0393476829 -0.0000000013 0.000006543 0.000002979 0.000000000 0.000000000 21958653 3906191263
9 8 0 -4559.0393476830 -0.0000000001 0.000002035 0.000001481 0.000000000 0.000000000 21535916 3906233884
10 9 0 -4559.0393476831 -0.0000000001 0.000000386 0.000000234 0.000000000 0.000000000 20151238 3906360956
11 10 0 -4559.0393476831 -0.0000000000 0.000000257 0.000000054 0.000000000 0.000000000 19220447 3906444110
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 56.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0393476831 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.67 TOTAL CPU TIME= 21770.8 ( 362.8 MIN)
TOTAL WALL CLOCK TIME= 4005.9 SECONDS, CPU UTILIZATION IS 543.47%
RHF RI MP2 ENERGY
ESCF= -4559.0393476831
E(2)= -7.6666768873
E(MP2)= -4566.7060245704
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.630923 -17.310864 8.299114 20.658468
iFrag= 131 jFrag= 60 EFMOc= -4566.706024570
iFrag= 131 jFrag= 60 EFMOu= -4559.039347683 Tr= 0.000309749
--------------------------------------
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 = -0.0003336517
--------------------------------------
FINAL EFP ENERGY = -0.0003336517
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
3.494236 4.808626 5.586405 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.032088 -9.017775 6.823210 19.618978
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.426232 16.053619 -13.284997 20.842061
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.467146 2.525652 0.485628 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.605856 7.035844 -6.461787 18.297556
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 34 15 corr= MP2 , LL1= 780 ID= 4346
-----------------------
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 34 15 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 -4559.0536442118 -4559.0536442118 0.038740219 0.000000000 0.000000000 1.000000000 30604437 3904835080
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0463719206 0.0072722912 0.009618508 0.003678698 0.000000000 0.000000000 29090275 3905425556
3 2 0 -4559.0466484105 -0.0002764899 0.005594696 0.001321898 0.000000000 0.000000000 28238255 3905560095
4 3 0 -4559.0466879770 -0.0000395665 0.000970434 0.000504256 0.000000000 0.000000000 27893427 3905607720
5 4 0 -4559.0466911783 -0.0000032013 0.000274478 0.000111618 0.000000000 0.000000000 26918931 3905721654
6 5 0 -4559.0466913899 -0.0000002115 0.000086981 0.000022173 0.000000000 0.000000000 25892574 3905851740
7 6 0 -4559.0466914069 -0.0000000170 0.000018536 0.000004931 0.000000000 0.000000000 24937967 3905951800
8 7 0 -4559.0466914077 -0.0000000008 0.000008209 0.000002981 0.000000000 0.000000000 23775184 3906066356
9 8 0 -4559.0466914079 -0.0000000002 0.000001680 0.000000900 0.000000000 0.000000000 23126860 3906129675
10 9 0 -4559.0466914079 -0.0000000000 0.000000495 0.000000186 0.000000000 0.000000000 21522257 3906272202
11 10 0 -4559.0466914079 0.0000000000 0.000000205 0.000000041 0.000000000 0.000000000 20898775 3906329375
12 11 0 -4559.0466914079 -0.0000000000 0.000000041 0.000000012 0.000000000 0.000000000 19977526 3906415524
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.4 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0466914079 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.14 TOTAL CPU TIME= 22330.9 ( 372.2 MIN)
TOTAL WALL CLOCK TIME= 4105.4 SECONDS, CPU UTILIZATION IS 543.94%
RHF RI MP2 ENERGY
ESCF= -4559.0466914079
E(2)= -7.6708922646
E(MP2)= -4566.7175836725
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.639126 7.107177 -6.623463 18.410988
iFrag= 34 jFrag= 15 EFMOc= -4566.717583672
iFrag= 34 jFrag= 15 EFMOu= -4559.046691408 Tr= 0.000333652
--------------------------------------
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 = -0.0001611399
--------------------------------------
FINAL EFP ENERGY = -0.0001611399
----------------------------------------
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)
7.309226 9.779730 7.919347 14.552799
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.841377 4.718450 2.618915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.752835 -1.367229 7.206585 7.834685
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.973409 3.399852 2.832467 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.556391 8.412501 15.125932 17.897617
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 48 38 corr= MP2 , LL1= 780 ID= 4475
-----------------------
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 38 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 -4559.0100979573 -4559.0100979573 0.063750515 0.000000000 0.000000000 1.000000000 26549605 3905164720
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0092997784 0.0007981789 0.016510772 0.005551007 0.000000000 0.000000000 25476689 3905699913
3 2 0 -4559.0095706269 -0.0002708485 0.007038157 0.001670338 0.000000000 0.000000000 24652525 3905830326
4 3 0 -4559.0096000747 -0.0000294479 0.000560076 0.000292073 0.000000000 0.000000000 24274539 3905884827
5 4 0 -4559.0096012899 -0.0000012152 0.000253403 0.000145377 0.000000000 0.000000000 23474228 3905979355
6 5 0 -4559.0096015512 -0.0000002613 0.000069602 0.000023388 0.000000000 0.000000000 22819770 3906073824
7 6 0 -4559.0096015683 -0.0000000171 0.000014114 0.000005515 0.000000000 0.000000000 22136356 3906154500
8 7 0 -4559.0096015692 -0.0000000009 0.000010145 0.000003321 0.000000000 0.000000000 21078461 3906260835
9 8 0 -4559.0096015693 -0.0000000002 0.000001382 0.000000659 0.000000000 0.000000000 20586234 3906315342
10 9 0 -4559.0096015694 -0.0000000000 0.000000366 0.000000261 0.000000000 0.000000000 19586293 3906395779
11 10 0 -4559.0096015694 -0.0000000000 0.000000085 0.000000042 0.000000000 0.000000000 19054957 3906449346
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.9 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0096015694 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.98 TOTAL CPU TIME= 22884.9 ( 381.4 MIN)
TOTAL WALL CLOCK TIME= 4203.5 SECONDS, CPU UTILIZATION IS 544.42%
RHF RI MP2 ENERGY
ESCF= -4559.0096015694
E(2)= -7.6701951600
E(MP2)= -4566.6797967293
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.579048 8.466866 15.149312 17.948737
iFrag= 48 jFrag= 38 EFMOc= -4566.679796729
iFrag= 48 jFrag= 38 EFMOu= -4559.009601569 Tr= 0.000161140
--------------------------------------
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 = -0.0002574160
--------------------------------------
FINAL EFP ENERGY = -0.0002574160
----------------------------------------
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)
-11.857508 -3.842717 -9.190436 15.486481
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.934245 -1.977295 3.930397 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.659556 8.114704 2.596895 11.456923
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.789271 2.962065 3.086233 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-19.517065 4.271987 -6.593541 21.039022
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 156 85 corr= MP2 , LL1= 780 ID= 4603
-----------------------
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 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 -4559.0369736815 -4559.0369736815 0.060706009 0.000000000 0.000000000 1.000000000 26417187 3905169849
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0162839677 0.0206897138 0.008139039 0.002381064 0.000000000 0.000000000 25161918 3905739765
3 2 0 -4559.0164347102 -0.0001507425 0.003810525 0.000800577 0.000000000 0.000000000 24416880 3905863180
4 3 0 -4559.0164539396 -0.0000192294 0.000619071 0.000229887 0.000000000 0.000000000 24102390 3905908319
5 4 0 -4559.0164553257 -0.0000013860 0.000218080 0.000081430 0.000000000 0.000000000 23266850 3906013966
6 5 0 -4559.0164555006 -0.0000001749 0.000088570 0.000022405 0.000000000 0.000000000 22533701 3906115276
7 6 0 -4559.0164555193 -0.0000000188 0.000020647 0.000005168 0.000000000 0.000000000 21961198 3906184587
8 7 0 -4559.0164555201 -0.0000000008 0.000006014 0.000001657 0.000000000 0.000000000 21011482 3906284516
9 8 0 -4559.0164555202 -0.0000000001 0.000001008 0.000000402 0.000000000 0.000000000 20425684 3906334637
10 9 0 -4559.0164555202 0.0000000000 0.000000392 0.000000175 0.000000000 0.000000000 19474609 3906421020
11 10 0 -4559.0164555202 0.0000000000 0.000000077 0.000000033 0.000000000 0.000000000 19123805 3906459586
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.9 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0164555202 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.01 TOTAL CPU TIME= 23438.9 ( 390.6 MIN)
TOTAL WALL CLOCK TIME= 4301.8 SECONDS, CPU UTILIZATION IS 544.86%
RHF RI MP2 ENERGY
ESCF= -4559.0164555202
E(2)= -7.6679319657
E(MP2)= -4566.6843874858
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-19.418464 4.263910 -6.568180 20.937972
iFrag= 156 jFrag= 85 EFMOc= -4566.684387486
iFrag= 156 jFrag= 85 EFMOu= -4559.016455520 Tr= 0.000257416
--------------------------------------
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 = -0.0005839876
--------------------------------------
FINAL EFP ENERGY = -0.0005839876
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
1.266940 -10.209123 6.763802 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.997472 -6.892976 -9.086085 13.380384
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.693019 12.693012 -0.101654 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.084375 4.998702 -3.922067 10.282351
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.479979 1.241945 3.331074 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.086903 -1.894274 -13.008152 13.190211
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 70 20 corr= MP2 , LL1= 780 ID= 4731
-----------------------
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 70 20 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 -4559.0990084276 -4559.0990084276 0.084717546 0.000000000 0.000000000 1.000000000 23611802 3905693408
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9621386434 0.1368697842 0.010935144 0.007411916 0.000000000 0.000000000 22719668 3906031203
3 2 0 -4558.9628102637 -0.0006716203 0.004324494 0.001763512 0.000000000 0.000000000 22264841 3906101713
4 3 0 -4558.9628835896 -0.0000733259 0.001229126 0.000835172 0.000000000 0.000000000 22063267 3906129320
5 4 0 -4558.9628916257 -0.0000080361 0.000353810 0.000290036 0.000000000 0.000000000 21535515 3906194786
6 5 0 -4558.9628923650 -0.0000007392 0.000206897 0.000069176 0.000000000 0.000000000 21096810 3906253529
7 6 0 -4558.9628924672 -0.0000001023 0.000032750 0.000010330 0.000000000 0.000000000 20893685 3906282065
8 7 0 -4558.9628924699 -0.0000000027 0.000011233 0.000003071 0.000000000 0.000000000 20197431 3906352639
9 8 0 -4558.9628924703 -0.0000000004 0.000001858 0.000001348 0.000000000 0.000000000 19961741 3906374868
10 9 0 -4558.9628924703 0.0000000000 0.000000749 0.000000494 0.000000000 0.000000000 19588589 3906414886
11 10 0 -4558.9628924703 0.0000000000 0.000000210 0.000000115 0.000000000 0.000000000 19119657 3906458947
12 11 0 -4558.9628924703 -0.0000000000 0.000000047 0.000000018 0.000000000 0.000000000 18703313 3906500133
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 60.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9628924703 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 558.90 TOTAL CPU TIME= 23997.8 ( 400.0 MIN)
TOTAL WALL CLOCK TIME= 4400.8 SECONDS, CPU UTILIZATION IS 545.31%
RHF RI MP2 ENERGY
ESCF= -4558.9628924703
E(2)= -7.6710565455
E(MP2)= -4566.6339490158
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.141941 -1.937364 -13.069031 13.261108
iFrag= 70 jFrag= 20 EFMOc= -4566.633949016
iFrag= 70 jFrag= 20 EFMOu= -4558.962892470 Tr= 0.000583988
--------------------------------------
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 = -0.0002955643
--------------------------------------
FINAL EFP ENERGY = -0.0002955643
----------------------------------------
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)
-0.186959 3.247079 -4.838607 5.830145
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.439734 15.967314 -13.362410 20.825524
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.957806 -0.804793 -2.465836 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.626693 19.214392 -18.201017 26.473810
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 71 15 corr= MP2 , LL1= 780 ID= 4860
-----------------------
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 15 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 -4559.0517577076 -4559.0517577076 0.044019829 0.000000000 0.000000000 1.000000000 27721243 3905009864
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0432054069 0.0085523007 0.007684701 0.002148006 0.000000000 0.000000000 26352936 3905633617
3 2 0 -4559.0433302939 -0.0001248871 0.003048153 0.000633274 0.000000000 0.000000000 25384577 3905784864
4 3 0 -4559.0433426791 -0.0000123851 0.000352265 0.000217328 0.000000000 0.000000000 24939249 3905843792
5 4 0 -4559.0433439053 -0.0000012263 0.000197601 0.000068453 0.000000000 0.000000000 23906362 3905965737
6 5 0 -4559.0433440253 -0.0000001200 0.000062114 0.000019847 0.000000000 0.000000000 23041202 3906092865
7 6 0 -4559.0433440387 -0.0000000134 0.000008232 0.000004136 0.000000000 0.000000000 22483863 3906151114
8 7 0 -4559.0433440391 -0.0000000004 0.000004791 0.000001489 0.000000000 0.000000000 21143964 3906292619
9 8 0 -4559.0433440392 -0.0000000000 0.000000496 0.000000259 0.000000000 0.000000000 20650746 3906339813
10 9 0 -4559.0433440392 -0.0000000000 0.000000279 0.000000168 0.000000000 0.000000000 19637416 3906428769
11 10 0 -4559.0433440392 0.0000000000 0.000000089 0.000000029 0.000000000 0.000000000 18998919 3906481408
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0433440392 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.08 TOTAL CPU TIME= 24551.9 ( 409.2 MIN)
TOTAL WALL CLOCK TIME= 4498.8 SECONDS, CPU UTILIZATION IS 545.74%
RHF RI MP2 ENERGY
ESCF= -4559.0433440392
E(2)= -7.6674757133
E(MP2)= -4566.7108197525
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.510289 19.160608 -18.307745 26.505902
iFrag= 71 jFrag= 15 EFMOc= -4566.710819752
iFrag= 71 jFrag= 15 EFMOu= -4559.043344039 Tr= 0.000295564
--------------------------------------
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 = -0.0005140538
--------------------------------------
FINAL EFP ENERGY = -0.0005140538
----------------------------------------
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)
-2.828534 -3.552874 -11.856106 12.696093
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.841377 4.718450 2.618915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.628017 -1.518708 7.208732 7.821685
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.495960 1.631777 2.353189 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.456551 -5.071582 -4.647374 8.780261
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 101 38 corr= MP2 , LL1= 780 ID= 4987
-----------------------
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 38 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 -4559.0520002758 -4559.0520002758 0.104002511 0.000000000 0.000000000 1.000000000 26011647 3905254950
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9777242427 0.0742760330 0.007060318 0.005527869 0.000000000 0.000000000 25409906 3905681591
3 2 0 -4558.9782673900 -0.0005431473 0.003107652 0.001638243 0.000000000 0.000000000 24752275 3905810585
4 3 0 -4558.9783230669 -0.0000556769 0.001199420 0.000734550 0.000000000 0.000000000 24353600 3905866361
5 4 0 -4558.9783298686 -0.0000068016 0.000256951 0.000194717 0.000000000 0.000000000 23509725 3905976309
6 5 0 -4558.9783303588 -0.0000004902 0.000118969 0.000050651 0.000000000 0.000000000 22886851 3906067332
7 6 0 -4558.9783304264 -0.0000000676 0.000020446 0.000009900 0.000000000 0.000000000 22394819 3906123329
8 7 0 -4558.9783304285 -0.0000000021 0.000011808 0.000002582 0.000000000 0.000000000 21208903 3906235089
9 8 0 -4558.9783304288 -0.0000000003 0.000001314 0.000000984 0.000000000 0.000000000 20826429 3906272196
10 9 0 -4558.9783304288 -0.0000000000 0.000000497 0.000000367 0.000000000 0.000000000 20053052 3906352385
11 10 0 -4558.9783304288 -0.0000000000 0.000000371 0.000000090 0.000000000 0.000000000 19343822 3906423252
12 11 0 -4558.9783304288 0.0000000000 0.000000060 0.000000017 0.000000000 0.000000000 18889879 3906474709
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9783304288 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 558.71 TOTAL CPU TIME= 25110.6 ( 418.5 MIN)
TOTAL WALL CLOCK TIME= 4597.8 SECONDS, CPU UTILIZATION IS 546.14%
RHF RI MP2 ENERGY
ESCF= -4558.9783304288
E(2)= -7.6686100643
E(MP2)= -4566.6469404931
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.383399 -5.245674 -4.487997 8.754439
iFrag= 101 jFrag= 38 EFMOc= -4566.646940493
iFrag= 101 jFrag= 38 EFMOu= -4558.978330429 Tr= 0.000514054
--------------------------------------
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 = -0.0003978115
--------------------------------------
FINAL EFP ENERGY = -0.0003978115
----------------------------------------
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)
-2.181588 -4.080688 0.235910 4.633249
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
2.881959 -5.440817 -1.987756 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.095285 -7.592732 13.501521 15.796248
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.309357 -5.293260 -3.427457 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.913697 -11.673420 13.737431 18.050501
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 153 149 corr= MP2 , LL1= 780 ID= 5116
-----------------------
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 153 149 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 -4559.0652803904 -4559.0652803904 0.049762885 0.000000000 0.000000000 1.000000000 24565955 3905420476
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0604167722 0.0048636181 0.012347715 0.004747019 0.000000000 0.000000000 24042116 3905811950
3 2 0 -4559.0608244265 -0.0004076543 0.005720395 0.001396517 0.000000000 0.000000000 23469201 3905927752
4 3 0 -4559.0608727271 -0.0000483006 0.000879338 0.000526418 0.000000000 0.000000000 23187910 3905973332
5 4 0 -4559.0608774530 -0.0000047259 0.000269364 0.000151285 0.000000000 0.000000000 22429644 3906072856
6 5 0 -4559.0608777891 -0.0000003361 0.000087079 0.000032814 0.000000000 0.000000000 21796151 3906169188
7 6 0 -4559.0608778266 -0.0000000375 0.000019646 0.000005825 0.000000000 0.000000000 21271548 3906227115
8 7 0 -4559.0608778282 -0.0000000016 0.000011416 0.000005663 0.000000000 0.000000000 20347779 3906326315
9 8 0 -4559.0608778285 -0.0000000003 0.000001674 0.000000769 0.000000000 0.000000000 19929595 3906365546
10 9 0 -4559.0608778286 -0.0000000000 0.000000361 0.000000139 0.000000000 0.000000000 19057983 3906439149
11 10 0 -4559.0608778286 -0.0000000000 0.000000113 0.000000040 0.000000000 0.000000000 18608348 3906486566
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0608778286 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.49 TOTAL CPU TIME= 25665.1 ( 427.8 MIN)
TOTAL WALL CLOCK TIME= 4695.8 SECONDS, CPU UTILIZATION IS 546.55%
RHF RI MP2 ENERGY
ESCF= -4559.0608778286
E(2)= -7.6662460293
E(MP2)= -4566.7271238578
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.023114 -11.724359 13.745440 18.095427
iFrag= 153 jFrag= 149 EFMOc= -4566.727123858
iFrag= 153 jFrag= 149 EFMOu= -4559.060877829 Tr= 0.000397812
--------------------------------------
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 = -0.0005552432
--------------------------------------
FINAL EFP ENERGY = -0.0005552432
----------------------------------------
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)
-7.306535 7.027230 12.465719 16.067407
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.130889 5.029252 0.989946 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
10.152497 -5.666725 -5.307787 12.781141
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.773155 5.926380 -1.750249 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.845962 1.360506 7.157932 7.822178
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 73 65 corr= MP2 , LL1= 780 ID= 5241
-----------------------
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 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 -4559.0755629711 -4559.0755629711 0.071529157 0.000000000 0.000000000 1.000000000 27301883 3905047957
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0405190968 0.0350438743 0.013640187 0.003600172 0.000000000 0.000000000 26890354 3905548096
3 2 0 -4559.0409984946 -0.0004793978 0.006229025 0.001307155 0.000000000 0.000000000 26108207 3905698533
4 3 0 -4559.0410624242 -0.0000639296 0.001269638 0.000536221 0.000000000 0.000000000 25661987 3905758547
5 4 0 -4559.0410682486 -0.0000058244 0.000441276 0.000165060 0.000000000 0.000000000 24570265 3905888431
6 5 0 -4559.0410689284 -0.0000006798 0.000194508 0.000052167 0.000000000 0.000000000 23796127 3905990621
7 6 0 -4559.0410690003 -0.0000000718 0.000027754 0.000009579 0.000000000 0.000000000 23050140 3906086287
8 7 0 -4559.0410690025 -0.0000000022 0.000011179 0.000002897 0.000000000 0.000000000 21972261 3906187481
9 8 0 -4559.0410690028 -0.0000000003 0.000002091 0.000001364 0.000000000 0.000000000 21604200 3906228132
10 9 0 -4559.0410690029 -0.0000000000 0.000000315 0.000000171 0.000000000 0.000000000 20420496 3906342316
11 10 0 -4559.0410690029 -0.0000000000 0.000000214 0.000000054 0.000000000 0.000000000 19597492 3906415831
----------------
ENERGY CONVERGED
----------------
TIME TO FORM FOCK OPERATORS= 56.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0410690029 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.70 TOTAL CPU TIME= 26218.8 ( 437.0 MIN)
TOTAL WALL CLOCK TIME= 4793.8 SECONDS, CPU UTILIZATION IS 546.93%
RHF RI MP2 ENERGY
ESCF= -4559.0410690029
E(2)= -7.6675514601
E(MP2)= -4566.7086204630
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.016033 1.490138 7.076473 7.835396
iFrag= 73 jFrag= 65 EFMOc= -4566.708620463
iFrag= 73 jFrag= 65 EFMOu= -4559.041069003 Tr= 0.000555243
--------------------------------------
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 = -0.0002227901
--------------------------------------
FINAL EFP ENERGY = -0.0002227901
----------------------------------------
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)
1.205307 -1.080488 12.498431 12.602817
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-5.132964 2.255139 -1.239886 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.905316 3.596175 2.161944 4.608330
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.251139 2.660561 -3.282978 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.110623 2.515687 14.660375 15.196422
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 152 107 corr= MP2 , LL1= 780 ID= 5366
-----------------------
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 152 107 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 -4559.1283454096 -4559.1283454096 0.080930776 0.000000000 0.000000000 1.000000000 25784418 3905289487
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0357053416 0.0926400680 0.011519188 0.004944203 0.000000000 0.000000000 24698518 3905802860
3 2 0 -4559.0362640075 -0.0005586659 0.004364123 0.002033483 0.000000000 0.000000000 24092543 3905910181
4 3 0 -4559.0363388103 -0.0000748027 0.001000756 0.000926568 0.000000000 0.000000000 23816101 3905949094
5 4 0 -4559.0363480890 -0.0000092788 0.000488122 0.000194220 0.000000000 0.000000000 22994765 3906047313
6 5 0 -4559.0363491518 -0.0000010628 0.000166875 0.000047267 0.000000000 0.000000000 22543076 3906109571
7 6 0 -4559.0363492246 -0.0000000728 0.000022215 0.000011124 0.000000000 0.000000000 21741644 3906205301
8 7 0 -4559.0363492272 -0.0000000026 0.000007728 0.000004730 0.000000000 0.000000000 21140897 3906255724
9 8 0 -4559.0363492275 -0.0000000002 0.000001928 0.000001420 0.000000000 0.000000000 20684052 3906306920
10 9 0 -4559.0363492275 -0.0000000000 0.000000365 0.000000203 0.000000000 0.000000000 19763746 3906387869
11 10 0 -4559.0363492275 0.0000000000 0.000000121 0.000000036 0.000000000 0.000000000 19294836 3906435811
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0363492275 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.39 TOTAL CPU TIME= 26772.2 ( 446.2 MIN)
TOTAL WALL CLOCK TIME= 4891.8 SECONDS, CPU UTILIZATION IS 547.28%
RHF RI MP2 ENERGY
ESCF= -4559.0363492275
E(2)= -7.6653697605
E(MP2)= -4566.7017189880
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.080591 2.451323 14.713437 15.231029
iFrag= 152 jFrag= 107 EFMOc= -4566.701718988
iFrag= 152 jFrag= 107 EFMOu= -4559.036349228 Tr= 0.000222790
--------------------------------------
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 = -0.0001430860
--------------------------------------
FINAL EFP ENERGY = -0.0001430860
----------------------------------------
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)
-2.465000 7.202654 -6.294543 9.878043
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.403576 -19.985593 1.858638 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
14.879421 -5.765674 5.035822 16.733191
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.062479 -12.125495 5.216737 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.414421 1.436980 -1.258721 12.560539
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 106 32 corr= MP2 , LL1= 780 ID= 5491
-----------------------
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 32 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 -4559.0508156570 -4559.0508156570 0.051231009 0.000000000 0.000000000 1.000000000 26385111 3905005863
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0460240607 0.0047915963 0.013045369 0.003413944 0.000000000 0.000000000 24542526 3905762034
3 2 0 -4559.0461691220 -0.0001450613 0.005413430 0.001041664 0.000000000 0.000000000 23620009 3905919912
4 3 0 -4559.0461825291 -0.0000134072 0.000626235 0.000401130 0.000000000 0.000000000 23203562 3905979558
5 4 0 -4559.0461838495 -0.0000013204 0.000252260 0.000082102 0.000000000 0.000000000 22164007 3906105124
6 5 0 -4559.0461839969 -0.0000001473 0.000151054 0.000030695 0.000000000 0.000000000 21208708 3906235371
7 6 0 -4559.0461840185 -0.0000000216 0.000022614 0.000006091 0.000000000 0.000000000 20986409 3906252869
8 7 0 -4559.0461840190 -0.0000000005 0.000007122 0.000002232 0.000000000 0.000000000 19679420 3906385680
9 8 0 -4559.0461840190 -0.0000000001 0.000001676 0.000000719 0.000000000 0.000000000 19304452 3906421692
10 9 0 -4559.0461840190 0.0000000000 0.000000346 0.000000147 0.000000000 0.000000000 18558986 3906492211
11 10 0 -4559.0461840190 -0.0000000000 0.000000084 0.000000028 0.000000000 0.000000000 17600883 3906579146
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0461840190 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.46 TOTAL CPU TIME= 27325.6 ( 455.4 MIN)
TOTAL WALL CLOCK TIME= 4990.0 SECONDS, CPU UTILIZATION IS 547.61%
RHF RI MP2 ENERGY
ESCF= -4559.0461840190
E(2)= -7.6661321212
E(MP2)= -4566.7123161402
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.446924 1.391610 -1.362763 12.598397
iFrag= 106 jFrag= 32 EFMOc= -4566.712316140
iFrag= 106 jFrag= 32 EFMOu= -4559.046184019 Tr= 0.000143086
--------------------------------------
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 = -0.0003590960
--------------------------------------
FINAL EFP ENERGY = -0.0003590960
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.132964 2.255139 -1.239886 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.801570 3.528254 2.156496 4.510511
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.429802 -2.908890 0.746084 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.770003 7.780800 2.297610 8.572793
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.851581 -0.326876 -0.246901 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.968432 11.309054 4.454106 12.193098
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 107 54 corr= MP2 , LL1= 780 ID= 5618
-----------------------
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 107 54 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 -4559.0191402451 -4559.0191402451 0.033993730 0.000000000 0.000000000 1.000000000 26759823 3905027823
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0116765540 0.0074636910 0.006327213 0.001599625 0.000000000 0.000000000 25461958 3905693803
3 2 0 -4559.0117861770 -0.0001096230 0.002590550 0.000814634 0.000000000 0.000000000 24557813 3905839299
4 3 0 -4559.0117980995 -0.0000119225 0.000492177 0.000362310 0.000000000 0.000000000 24150339 3905892496
5 4 0 -4559.0117996113 -0.0000015118 0.000141858 0.000054596 0.000000000 0.000000000 23131747 3906014514
6 5 0 -4559.0117997030 -0.0000000916 0.000076759 0.000022692 0.000000000 0.000000000 22510654 3906102039
7 6 0 -4559.0117997133 -0.0000000103 0.000007633 0.000002747 0.000000000 0.000000000 21897461 3906181147
8 7 0 -4559.0117997136 -0.0000000003 0.000003010 0.000000923 0.000000000 0.000000000 20812642 3906295415
9 8 0 -4559.0117997136 -0.0000000001 0.000000713 0.000000524 0.000000000 0.000000000 20498127 3906331809
10 9 0 -4559.0117997136 0.0000000000 0.000000208 0.000000109 0.000000000 0.000000000 19687803 3906410379
11 10 0 -4559.0117997136 -0.0000000000 0.000000072 0.000000030 0.000000000 0.000000000 19165907 3906475400
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.9 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0117997136 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.01 TOTAL CPU TIME= 27879.6 ( 464.7 MIN)
TOTAL WALL CLOCK TIME= 5087.9 SECONDS, CPU UTILIZATION IS 547.96%
RHF RI MP2 ENERGY
ESCF= -4559.0117997136
E(2)= -7.6660009286
E(MP2)= -4566.6778006422
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.029975 11.331078 4.382415 12.192610
iFrag= 107 jFrag= 54 EFMOc= -4566.677800642
iFrag= 107 jFrag= 54 EFMOu= -4559.011799714 Tr= 0.000359096
--------------------------------------
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 = -0.0008011411
--------------------------------------
FINAL EFP ENERGY = -0.0008011411
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-5.132964 2.255139 -1.239886 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.957309 3.439233 2.040387 4.452253
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.977238 -3.622978 5.729009 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.214610 8.174191 -14.810662 17.433761
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.577863 -0.683919 2.244561 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.257301 11.613424 -12.770275 17.408243
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 107 6 corr= MP2 , LL1= 780 ID= 5742
-----------------------
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 107 6 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 -4559.1172140681 -4559.1172140681 0.077188359 0.000000000 0.000000000 1.000000000 28827644 3905004678
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0216020127 0.0956120554 0.012752941 0.006414433 0.000000000 0.000000000 27941421 3905506024
3 2 0 -4559.0223132166 -0.0007112038 0.006047606 0.002191087 0.000000000 0.000000000 27156681 3905642419
4 3 0 -4559.0224334426 -0.0001202261 0.001235070 0.000903850 0.000000000 0.000000000 26824992 3905690691
5 4 0 -4559.0224432014 -0.0000097588 0.000441111 0.000220834 0.000000000 0.000000000 25833194 3905811678
6 5 0 -4559.0224442941 -0.0000010927 0.000146956 0.000046006 0.000000000 0.000000000 25190081 3905892781
7 6 0 -4559.0224443485 -0.0000000544 0.000035588 0.000013727 0.000000000 0.000000000 23907606 3906026493
8 7 0 -4559.0224443527 -0.0000000041 0.000007075 0.000006136 0.000000000 0.000000000 23290794 3906086729
9 8 0 -4559.0224443532 -0.0000000006 0.000001458 0.000000712 0.000000000 0.000000000 22313175 3906190084
10 9 0 -4559.0224443532 -0.0000000000 0.000000656 0.000000204 0.000000000 0.000000000 21627202 3906256471
11 10 0 -4559.0224443532 0.0000000000 0.000000214 0.000000050 0.000000000 0.000000000 20942889 3906326040
12 11 0 -4559.0224443532 -0.0000000000 0.000000062 0.000000017 0.000000000 0.000000000 20068914 3906428328
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.2 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0224443532 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.24 TOTAL CPU TIME= 28438.9 ( 474.0 MIN)
TOTAL WALL CLOCK TIME= 5187.0 SECONDS, CPU UTILIZATION IS 548.28%
RHF RI MP2 ENERGY
ESCF= -4559.0224443532
E(2)= -7.6683300761
E(MP2)= -4566.6907744293
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.165592 11.578666 -12.740799 17.351751
iFrag= 107 jFrag= 6 EFMOc= -4566.690774429
iFrag= 107 jFrag= 6 EFMOu= -4559.022444353 Tr= 0.000801141
--------------------------------------
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 = -0.0004444276
--------------------------------------
FINAL EFP ENERGY = -0.0004444276
----------------------------------------
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)
-11.518153 5.246109 10.929921 16.722819
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-9.080623 -3.979035 7.753915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.315177 3.170079 -5.180678 12.842198
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.853561 -8.637913 5.138433 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.202975 8.416188 5.749243 10.194470
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 109 93 corr= MP2 , LL1= 780 ID= 5870
-----------------------
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 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 -4559.0836340941 -4559.0836340941 0.072527348 0.000000000 0.000000000 1.000000000 26516311 3905003305
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0460469563 0.0375871378 0.009136989 0.003226527 0.000000000 0.000000000 25109424 3905721554
3 2 0 -4559.0463826182 -0.0003356619 0.004065249 0.001162809 0.000000000 0.000000000 24271871 3905879568
4 3 0 -4559.0464234159 -0.0000407977 0.000727690 0.000550196 0.000000000 0.000000000 23887819 3905935121
5 4 0 -4559.0464277030 -0.0000042871 0.000235680 0.000097856 0.000000000 0.000000000 22739569 3906074386
6 5 0 -4559.0464279378 -0.0000002348 0.000111213 0.000026918 0.000000000 0.000000000 21820567 3906191391
7 6 0 -4559.0464279670 -0.0000000292 0.000022674 0.000006358 0.000000000 0.000000000 21223696 3906249031
8 7 0 -4559.0464279682 -0.0000000012 0.000008513 0.000002928 0.000000000 0.000000000 19990282 3906365688
9 8 0 -4559.0464279684 -0.0000000002 0.000001531 0.000000661 0.000000000 0.000000000 19522875 3906410372
10 9 0 -4559.0464279684 -0.0000000001 0.000000408 0.000000157 0.000000000 0.000000000 18808206 3906479569
11 10 0 -4559.0464279684 0.0000000000 0.000000147 0.000000048 0.000000000 0.000000000 18466533 3906522567
12 11 0 -4559.0464279684 0.0000000000 0.000000031 0.000000012 0.000000000 0.000000000 17844855 3906600788
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 60.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0464279684 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.13 TOTAL CPU TIME= 28999.0 ( 483.3 MIN)
TOTAL WALL CLOCK TIME= 5286.2 SECONDS, CPU UTILIZATION IS 548.58%
RHF RI MP2 ENERGY
ESCF= -4559.0464279684
E(2)= -7.6666733178
E(MP2)= -4566.7131012862
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.147339 8.320327 5.563433 10.010062
iFrag= 109 jFrag= 93 EFMOc= -4566.713101286
iFrag= 109 jFrag= 93 EFMOu= -4559.046427968 Tr= 0.000444428
--------------------------------------
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 = -0.0004409876
--------------------------------------
FINAL EFP ENERGY = -0.0004409876
----------------------------------------
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)
2.452621 1.478880 7.723860 8.237746
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.471056 15.956309 -13.281612 20.766003
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.121648 -3.059923 1.953990 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.981565 17.435189 -5.557751 18.406548
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 56 15 corr= MP2 , LL1= 780 ID= 6000
-----------------------
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 15 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 -4559.0856348418 -4559.0856348418 0.059681137 0.000000000 0.000000000 1.000000000 29377707 3904921354
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0618469986 0.0237878432 0.014257666 0.006005525 0.000000000 0.000000000 28665512 3905412911
3 2 0 -4559.0624534041 -0.0006064055 0.006631067 0.001980191 0.000000000 0.000000000 27842775 3905560448
4 3 0 -4559.0625373525 -0.0000839485 0.001414156 0.000952381 0.000000000 0.000000000 27454240 3905613839
5 4 0 -4559.0625459166 -0.0000085641 0.000437953 0.000166353 0.000000000 0.000000000 26354683 3905741548
6 5 0 -4559.0625465453 -0.0000006286 0.000145484 0.000057962 0.000000000 0.000000000 25489336 3905854402
7 6 0 -4559.0625466104 -0.0000000651 0.000020076 0.000005941 0.000000000 0.000000000 24563777 3905968068
8 7 0 -4559.0625466122 -0.0000000018 0.000009851 0.000003216 0.000000000 0.000000000 23401271 3906074921
9 8 0 -4559.0625466125 -0.0000000003 0.000002524 0.000001052 0.000000000 0.000000000 22907424 3906122777
10 9 0 -4559.0625466125 -0.0000000000 0.000000352 0.000000141 0.000000000 0.000000000 21600849 3906243330
11 10 0 -4559.0625466125 0.0000000000 0.000000183 0.000000045 0.000000000 0.000000000 20854107 3906327710
-----------------
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 -4559.0625466125 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.26 TOTAL CPU TIME= 29553.3 ( 492.6 MIN)
TOTAL WALL CLOCK TIME= 5384.4 SECONDS, CPU UTILIZATION IS 548.87%
RHF RI MP2 ENERGY
ESCF= -4559.0625466125
E(2)= -7.6693298727
E(MP2)= -4566.7318764852
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.959457 17.489952 -5.641562 18.481481
iFrag= 56 jFrag= 15 EFMOc= -4566.731876485
iFrag= 56 jFrag= 15 EFMOu= -4559.062546613 Tr= 0.000440988
--------------------------------------
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 = -0.0003940808
--------------------------------------
FINAL EFP ENERGY = -0.0003940808
----------------------------------------
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)
4.605245 -8.380689 -13.194804 16.295616
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.319601 7.297959 6.930443 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.768950 -1.762192 17.452133 19.184339
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.806336 -2.399645 5.340166 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.374195 -10.142881 4.257329 16.556678
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 148 99 corr= MP2 , LL1= 780 ID= 6126
-----------------------
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 99 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 -4559.0975682269 -4559.0975682269 0.046505125 0.000000000 0.000000000 1.000000000 28561359 3905173942
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0789539983 0.0186142286 0.013628632 0.007120756 0.000000000 0.000000000 27990329 3905527718
3 2 0 -4559.0794798936 -0.0005258953 0.007318608 0.002381889 0.000000000 0.000000000 27505188 3905621187
4 3 0 -4559.0795561096 -0.0000762159 0.001235818 0.000555039 0.000000000 0.000000000 27279765 3905655844
5 4 0 -4559.0795635952 -0.0000074856 0.000286927 0.000107947 0.000000000 0.000000000 26585325 3905745459
6 5 0 -4559.0795640286 -0.0000004334 0.000103142 0.000032872 0.000000000 0.000000000 26013251 3905823966
7 6 0 -4559.0795640702 -0.0000000416 0.000023674 0.000014960 0.000000000 0.000000000 25331336 3905901343
8 7 0 -4559.0795640725 -0.0000000022 0.000012002 0.000004283 0.000000000 0.000000000 24462241 3905989884
9 8 0 -4559.0795640729 -0.0000000004 0.000002709 0.000000935 0.000000000 0.000000000 23773736 3906066399
10 9 0 -4559.0795640730 -0.0000000001 0.000000350 0.000000119 0.000000000 0.000000000 23176816 3906132194
11 10 0 -4559.0795640729 0.0000000000 0.000000175 0.000000061 0.000000000 0.000000000 22224501 3906227820
-----------------
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 -4559.0795640729 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 555.03 TOTAL CPU TIME= 30108.3 ( 501.8 MIN)
TOTAL WALL CLOCK TIME= 5482.9 SECONDS, CPU UTILIZATION IS 549.13%
RHF RI MP2 ENERGY
ESCF= -4559.0795640729
E(2)= -7.6702000942
E(MP2)= -4566.7497641671
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.379292 -10.086343 4.532335 16.598893
iFrag= 148 jFrag= 99 EFMOc= -4566.749764167
iFrag= 148 jFrag= 99 EFMOu= -4559.079564073 Tr= 0.000394081
--------------------------------------
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 = -0.0002088732
--------------------------------------
FINAL EFP ENERGY = -0.0002088732
----------------------------------------
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)
8.419480 -16.372608 26.876961 32.577921
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.841377 4.718450 2.618915 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.816074 -1.350709 7.265501 7.908362
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.891512 0.422357 2.190037 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.603406 -17.723316 34.142461 38.874436
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 113 38 corr= MP2 , LL1= 780 ID= 6253
-----------------------
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 38 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 -4559.0165512407 -4559.0165512407 0.082042350 0.000000000 0.000000000 1.000000000 23367011 3905566462
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0138415131 0.0027097276 0.021023991 0.006282368 0.000000000 0.000000000 22313821 3906029403
3 2 0 -4559.0141693249 -0.0003278118 0.010188752 0.002168590 0.000000000 0.000000000 21872062 3906109511
4 3 0 -4559.0142119053 -0.0000425804 0.000737452 0.000471615 0.000000000 0.000000000 21672577 3906140825
5 4 0 -4559.0142149922 -0.0000030869 0.000424068 0.000151626 0.000000000 0.000000000 21127098 3906212056
6 5 0 -4559.0142153166 -0.0000003243 0.000102227 0.000034613 0.000000000 0.000000000 20586331 3906288676
7 6 0 -4559.0142153420 -0.0000000254 0.000026184 0.000007548 0.000000000 0.000000000 20244254 3906326684
8 7 0 -4559.0142153434 -0.0000000014 0.000013611 0.000005031 0.000000000 0.000000000 19640375 3906382464
9 8 0 -4559.0142153436 -0.0000000002 0.000002687 0.000001587 0.000000000 0.000000000 19236992 3906426486
10 9 0 -4559.0142153436 -0.0000000001 0.000000436 0.000000169 0.000000000 0.000000000 18728667 3906473498
11 10 0 -4559.0142153436 0.0000000000 0.000000181 0.000000040 0.000000000 0.000000000 18298108 3906518980
12 11 0 -4559.0142153436 -0.0000000000 0.000000046 0.000000023 0.000000000 0.000000000 17904272 3906563960
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 60.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0142153436 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.50 TOTAL CPU TIME= 30667.8 ( 511.1 MIN)
TOTAL WALL CLOCK TIME= 5582.1 SECONDS, CPU UTILIZATION IS 549.40%
RHF RI MP2 ENERGY
ESCF= -4559.0142153436
E(2)= -7.6698615518
E(MP2)= -4566.6840768954
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.687827 -17.702731 34.378955 39.085171
iFrag= 113 jFrag= 38 EFMOc= -4566.684076895
iFrag= 113 jFrag= 38 EFMOu= -4559.014215344 Tr= 0.000208873
--------------------------------------
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 = -0.0002317489
--------------------------------------
FINAL EFP ENERGY = -0.0002317489
----------------------------------------
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)
8.506573 2.680066 2.070863 9.156037
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.505678 -2.301525 2.626947 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.078054 4.703704 3.706615 8.532676
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.378848 1.015501 0.793112 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.428519 7.383769 5.777478 9.684886
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 114 57 corr= MP2 , LL1= 780 ID= 6384
-----------------------
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 57 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 -4559.0623703442 -4559.0623703442 0.023466764 0.000000000 0.000000000 1.000000000 23721527 3905407026
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0582157466 0.0041545976 0.007153656 0.003241533 0.000000000 0.000000000 22217684 3905997444
3 2 0 -4559.0583844772 -0.0001687306 0.004120839 0.001355500 0.000000000 0.000000000 21594741 3906109962
4 3 0 -4559.0584126818 -0.0000282046 0.000725297 0.000606455 0.000000000 0.000000000 21385709 3906141508
5 4 0 -4559.0584148167 -0.0000021348 0.000144217 0.000080380 0.000000000 0.000000000 20675818 3906238060
6 5 0 -4559.0584148745 -0.0000000578 0.000046679 0.000020334 0.000000000 0.000000000 19821747 3906347538
7 6 0 -4559.0584148811 -0.0000000066 0.000007406 0.000005865 0.000000000 0.000000000 19332673 3906400301
8 7 0 -4559.0584148814 -0.0000000003 0.000003009 0.000002715 0.000000000 0.000000000 18453929 3906482550
9 8 0 -4559.0584148814 -0.0000000000 0.000000672 0.000000367 0.000000000 0.000000000 17890261 3906544185
10 9 0 -4559.0584148815 -0.0000000000 0.000000219 0.000000101 0.000000000 0.000000000 17417113 3906591429
11 10 0 -4559.0584148814 0.0000000000 0.000000057 0.000000038 0.000000000 0.000000000 17110212 3906625734
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.5 SECONDS ( 5.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0584148814 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.28 TOTAL CPU TIME= 31222.1 ( 520.4 MIN)
TOTAL WALL CLOCK TIME= 5680.1 SECONDS, CPU UTILIZATION IS 549.67%
RHF RI MP2 ENERGY
ESCF= -4559.0584148814
E(2)= -7.6646724267
E(MP2)= -4566.7230873082
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.450156 7.240106 5.558329 9.450789
iFrag= 114 jFrag= 57 EFMOc= -4566.723087308
iFrag= 114 jFrag= 57 EFMOu= -4559.058414881 Tr= 0.000231749
--------------------------------------
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 = -0.0008081835
--------------------------------------
FINAL EFP ENERGY = -0.0008081835
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-4.686738 -2.125229 6.533275 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.658666 12.794021 7.885660 16.867892
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-2.235704 6.677927 1.906504 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.549164 0.756483 18.402097 25.439784
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.461221 2.276349 4.219889 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
25.207830 13.550504 26.287758 38.859967
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 82 16 corr= MP2 , LL1= 780 ID= 6512
-----------------------
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 82 16 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 -4559.1224955761 -4559.1224955761 0.071190636 0.000000000 0.000000000 1.000000000 31969730 3904859187
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0140515704 0.1084440057 0.010593096 0.004498770 0.000000000 0.000000000 31974901 3905194308
3 2 0 -4559.0150976724 -0.0010461020 0.005371485 0.001668591 0.000000000 0.000000000 31324454 3905323658
4 3 0 -4559.0152334675 -0.0001357951 0.000982902 0.000656817 0.000000000 0.000000000 30941200 3905378538
5 4 0 -4559.0152490016 -0.0000155341 0.000347514 0.000142780 0.000000000 0.000000000 29953576 3905494607
6 5 0 -4559.0152504143 -0.0000014127 0.000193649 0.000055695 0.000000000 0.000000000 29225558 3905583243
7 6 0 -4559.0152505684 -0.0000001541 0.000024898 0.000011361 0.000000000 0.000000000 28325497 3905683238
8 7 0 -4559.0152505733 -0.0000000049 0.000010529 0.000004367 0.000000000 0.000000000 27185134 3905794514
9 8 0 -4559.0152505743 -0.0000000010 0.000001771 0.000000808 0.000000000 0.000000000 26665773 3905851748
10 9 0 -4559.0152505744 -0.0000000000 0.000000580 0.000000177 0.000000000 0.000000000 25450681 3905977307
11 10 0 -4559.0152505744 -0.0000000000 0.000000179 0.000000071 0.000000000 0.000000000 24521283 3906066377
12 11 0 -4559.0152505743 0.0000000000 0.000000070 0.000000024 0.000000000 0.000000000 23036454 3906202008
-----------------
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 -4559.0152505743 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.24 TOTAL CPU TIME= 31782.3 ( 529.7 MIN)
TOTAL WALL CLOCK TIME= 5779.5 SECONDS, CPU UTILIZATION IS 549.91%
RHF RI MP2 ENERGY
ESCF= -4559.0152505743
E(2)= -7.6747338556
E(MP2)= -4566.6899844300
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
25.101141 13.532529 26.240562 38.752597
iFrag= 82 jFrag= 16 EFMOc= -4566.689984430
iFrag= 82 jFrag= 16 EFMOu= -4559.015250574 Tr= 0.000808184
--------------------------------------
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 = -0.0003190642
--------------------------------------
FINAL EFP ENERGY = -0.0003190642
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-3.260771 -1.571737 0.612135 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
20.573781 9.696150 -8.699238 24.351027
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.244807 7.791423 -7.922690 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.176375 7.504234 3.170869 10.856716
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.492018 3.109843 -3.655277 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
27.750155 17.200384 -5.528369 33.113248
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 116 87 corr= MP2 , LL1= 780 ID= 6641
-----------------------
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 116 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 -4559.0614723730 -4559.0614723730 0.047115600 0.000000000 0.000000000 1.000000000 28168387 3905127142
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0593087532 0.0021636198 0.010089442 0.001906593 0.000000000 0.000000000 27288853 3905572346
3 2 0 -4559.0594856075 -0.0001768543 0.003806902 0.000632518 0.000000000 0.000000000 26563107 3905697075
4 3 0 -4559.0595043563 -0.0000187489 0.000551465 0.000305199 0.000000000 0.000000000 26227513 3905747274
5 4 0 -4559.0595062232 -0.0000018668 0.000280428 0.000076716 0.000000000 0.000000000 25328429 3905855008
6 5 0 -4559.0595064283 -0.0000002051 0.000093522 0.000024047 0.000000000 0.000000000 24595392 3905958211
7 6 0 -4559.0595064524 -0.0000000242 0.000012759 0.000004484 0.000000000 0.000000000 23960002 3906024546
8 7 0 -4559.0595064531 -0.0000000007 0.000005081 0.000001232 0.000000000 0.000000000 22730425 3906146821
9 8 0 -4559.0595064532 -0.0000000001 0.000000969 0.000000619 0.000000000 0.000000000 22388080 3906182545
10 9 0 -4559.0595064532 -0.0000000000 0.000000250 0.000000176 0.000000000 0.000000000 21078164 3906302091
11 10 0 -4559.0595064532 0.0000000000 0.000000076 0.000000031 0.000000000 0.000000000 20387774 3906377472
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0595064532 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.53 TOTAL CPU TIME= 32336.9 ( 538.9 MIN)
TOTAL WALL CLOCK TIME= 5877.7 SECONDS, CPU UTILIZATION IS 550.16%
RHF RI MP2 ENERGY
ESCF= -4559.0595064532
E(2)= -7.6683324314
E(MP2)= -4566.7278388846
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
27.761588 17.190227 -5.537010 33.119000
iFrag= 116 jFrag= 87 EFMOc= -4566.727838885
iFrag= 116 jFrag= 87 EFMOu= -4559.059506453 Tr= 0.000319064
--------------------------------------
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 = -0.0007640259
--------------------------------------
FINAL EFP ENERGY = -0.0007640259
----------------------------------------
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)
3.619656 2.016206 -3.909370 5.696505
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.656552 6.208680 -1.339720 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.112772 3.232897 -20.744111 21.608105
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.646346 1.043939 -3.143591 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.732427 5.249103 -24.653481 26.675879
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 83 63 corr= MP2 , LL1= 780 ID= 6767
-----------------------
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 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 -4559.0920895271 -4559.0920895271 0.089278644 0.000000000 0.000000000 1.000000000 29867763 3904878579
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9840973066 0.1079922206 0.009380795 0.004047892 0.000000000 0.000000000 29264327 3905382030
3 2 0 -4558.9847509217 -0.0006536151 0.004035271 0.000943288 0.000000000 0.000000000 28552892 3905516483
4 3 0 -4558.9848255683 -0.0000746466 0.001058015 0.000597114 0.000000000 0.000000000 28170701 3905576049
5 4 0 -4558.9848314597 -0.0000058914 0.000320960 0.000197436 0.000000000 0.000000000 27201983 3905692544
6 5 0 -4558.9848323357 -0.0000008760 0.000217774 0.000046008 0.000000000 0.000000000 26438444 3905796327
7 6 0 -4558.9848324329 -0.0000000971 0.000035097 0.000007426 0.000000000 0.000000000 25790285 3905872034
8 7 0 -4558.9848324359 -0.0000000031 0.000008639 0.000002408 0.000000000 0.000000000 24702030 3905986268
9 8 0 -4558.9848324363 -0.0000000003 0.000002023 0.000001168 0.000000000 0.000000000 24240119 3906040713
10 9 0 -4558.9848324363 -0.0000000000 0.000000531 0.000000334 0.000000000 0.000000000 23286314 3906145154
11 10 0 -4558.9848324363 0.0000000000 0.000000390 0.000000071 0.000000000 0.000000000 22633116 3906214704
12 11 0 -4558.9848324363 0.0000000000 0.000000074 0.000000015 0.000000000 0.000000000 21767744 3906296668
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.4 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 -4558.9848324363 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.01 TOTAL CPU TIME= 32895.9 ( 548.3 MIN)
TOTAL WALL CLOCK TIME= 5977.0 SECONDS, CPU UTILIZATION IS 550.38%
RHF RI MP2 ENERGY
ESCF= -4558.9848324363
E(2)= -7.6700181970
E(MP2)= -4566.6548506333
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.831853 5.191585 -24.746979 26.783710
iFrag= 83 jFrag= 63 EFMOc= -4566.654850633
iFrag= 83 jFrag= 63 EFMOu= -4558.984832436 Tr= 0.000764026
--------------------------------------
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 = -0.0003151486
--------------------------------------
FINAL EFP ENERGY = -0.0003151486
----------------------------------------
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)
-1.360131 -6.689340 -5.251256 8.612369
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
-8.189786 -5.197288 4.228492 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.398570 -15.781463 20.650906 26.545415
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.747563 -5.949799 2.821074 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.758700 -22.470802 15.399651 28.067174
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 118 110 corr= MP2 , LL1= 780 ID= 6895
-----------------------
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 118 110 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 -4559.0531910383 -4559.0531910383 0.033002623 0.000000000 0.000000000 1.000000000 26615280 3905123386
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0435148686 0.0096761697 0.006411738 0.001795765 0.000000000 0.000000000 25598255 3905705570
3 2 0 -4559.0436835806 -0.0001687120 0.003830581 0.000715967 0.000000000 0.000000000 24865725 3905840416
4 3 0 -4559.0437058176 -0.0000222370 0.000505272 0.000269292 0.000000000 0.000000000 24509169 3905891029
5 4 0 -4559.0437083635 -0.0000025459 0.000244415 0.000074357 0.000000000 0.000000000 23637713 3905999460
6 5 0 -4559.0437086129 -0.0000002494 0.000131769 0.000022844 0.000000000 0.000000000 23054329 3906076522
7 6 0 -4559.0437086374 -0.0000000245 0.000017436 0.000003639 0.000000000 0.000000000 22416746 3906154050
8 7 0 -4559.0437086381 -0.0000000007 0.000006384 0.000001770 0.000000000 0.000000000 21463548 3906243107
9 8 0 -4559.0437086382 -0.0000000001 0.000001296 0.000000670 0.000000000 0.000000000 21142076 3906277211
10 9 0 -4559.0437086382 -0.0000000000 0.000000209 0.000000117 0.000000000 0.000000000 20142787 3906372140
11 10 0 -4559.0437086382 -0.0000000000 0.000000119 0.000000032 0.000000000 0.000000000 19341188 3906435463
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.9 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0437086382 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.03 TOTAL CPU TIME= 33449.9 ( 557.5 MIN)
TOTAL WALL CLOCK TIME= 6075.1 SECONDS, CPU UTILIZATION IS 550.61%
RHF RI MP2 ENERGY
ESCF= -4559.0437086382
E(2)= -7.6667872826
E(MP2)= -4566.7104959208
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.644092 -22.549321 15.396690 28.101137
iFrag= 118 jFrag= 110 EFMOc= -4566.710495921
iFrag= 118 jFrag= 110 EFMOu= -4559.043708638 Tr= 0.000315149
--------------------------------------
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 = -0.0003771764
--------------------------------------
FINAL EFP ENERGY = -0.0003771764
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.327374 0.888827 3.572995 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.834666 3.811955 4.270911 15.900912
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.180792 0.988478 4.612620 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.773411 -0.559647 3.663625 10.452507
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.254083 0.938652 4.092807 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.608077 3.252307 7.934536 26.059390
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 103 77 corr= MP2 , LL1= 780 ID= 7024
-----------------------
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 103 77 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 -4559.0850262523 -4559.0850262523 0.050232488 0.000000000 0.000000000 1.000000000 23477755 3905512498
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0577334908 0.0272927615 0.007607995 0.004552073 0.000000000 0.000000000 22479649 3906012736
3 2 0 -4559.0581283957 -0.0003949049 0.005240197 0.001937726 0.000000000 0.000000000 21916870 3906105742
4 3 0 -4559.0581998984 -0.0000715027 0.000770759 0.000628172 0.000000000 0.000000000 21724114 3906132067
5 4 0 -4559.0582047406 -0.0000048422 0.000233936 0.000095382 0.000000000 0.000000000 21051046 3906216141
6 5 0 -4559.0582050432 -0.0000003026 0.000072727 0.000030739 0.000000000 0.000000000 20566703 3906282317
7 6 0 -4559.0582050616 -0.0000000184 0.000022550 0.000007879 0.000000000 0.000000000 19955874 3906357247
8 7 0 -4559.0582050630 -0.0000000013 0.000007590 0.000003134 0.000000000 0.000000000 19518160 3906403135
9 8 0 -4559.0582050632 -0.0000000002 0.000001974 0.000000579 0.000000000 0.000000000 19009935 3906459771
10 9 0 -4559.0582050632 -0.0000000001 0.000000463 0.000000157 0.000000000 0.000000000 18434986 3906508056
11 10 0 -4559.0582050632 0.0000000000 0.000000135 0.000000070 0.000000000 0.000000000 18093813 3906544599
12 11 0 -4559.0582050632 0.0000000000 0.000000031 0.000000016 0.000000000 0.000000000 17652284 3906596038
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 60.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0582050632 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.02 TOTAL CPU TIME= 34008.9 ( 566.8 MIN)
TOTAL WALL CLOCK TIME= 6174.2 SECONDS, CPU UTILIZATION IS 550.82%
RHF RI MP2 ENERGY
ESCF= -4559.0582050632
E(2)= -7.6654210711
E(MP2)= -4566.7236261343
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.593663 3.603338 7.870189 26.072441
iFrag= 103 jFrag= 77 EFMOc= -4566.723626134
iFrag= 103 jFrag= 77 EFMOu= -4559.058205063 Tr= 0.000377176
--------------------------------------
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 = -0.0004440234
--------------------------------------
FINAL EFP ENERGY = -0.0004440234
----------------------------------------
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)
-3.638057 2.633985 -21.010588 21.485301
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.723119 -5.575458 8.359485 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.717779 3.552919 -15.357417 22.260325
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.626872 -2.386409 5.755865 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-19.355836 6.186904 -36.368006 41.660029
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 121 14 corr= MP2 , LL1= 780 ID= 7153
-----------------------
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 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 -4559.0574076062 -4559.0574076062 0.046765980 0.000000000 0.000000000 1.000000000 28767940 3905054068
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0442587834 0.0131488228 0.010015976 0.003021656 0.000000000 0.000000000 28100555 3905492348
3 2 0 -4559.0445276574 -0.0002688740 0.003924771 0.000713495 0.000000000 0.000000000 27378386 3905623224
4 3 0 -4559.0445522896 -0.0000246322 0.000468504 0.000300162 0.000000000 0.000000000 27029988 3905677797
5 4 0 -4559.0445553608 -0.0000030712 0.000215825 0.000093944 0.000000000 0.000000000 26170558 3905783092
6 5 0 -4559.0445555815 -0.0000002207 0.000102587 0.000022384 0.000000000 0.000000000 25584871 3905870682
7 6 0 -4559.0445556126 -0.0000000311 0.000010538 0.000004250 0.000000000 0.000000000 25118639 3905921481
8 7 0 -4559.0445556133 -0.0000000007 0.000005160 0.000001947 0.000000000 0.000000000 23917835 3906048250
9 8 0 -4559.0445556135 -0.0000000001 0.000001158 0.000000574 0.000000000 0.000000000 23544533 3906083578
10 9 0 -4559.0445556135 -0.0000000000 0.000000256 0.000000132 0.000000000 0.000000000 22508535 3906181465
11 10 0 -4559.0445556135 0.0000000000 0.000000145 0.000000035 0.000000000 0.000000000 21733777 3906266158
-----------------
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 -4559.0445556135 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.71 TOTAL CPU TIME= 34563.6 ( 576.1 MIN)
TOTAL WALL CLOCK TIME= 6272.3 SECONDS, CPU UTILIZATION IS 551.05%
RHF RI MP2 ENERGY
ESCF= -4559.0445556135
E(2)= -7.6713788234
E(MP2)= -4566.7159344369
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-19.252708 6.192387 -36.398537 41.639715
iFrag= 121 jFrag= 14 EFMOc= -4566.715934437
iFrag= 121 jFrag= 14 EFMOu= -4559.044555613 Tr= 0.000444023
--------------------------------------
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 = -0.0003588389
--------------------------------------
FINAL EFP ENERGY = -0.0003588389
----------------------------------------
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)
7.848382 -2.396918 -15.046180 17.138549
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.174656 3.608286 -2.562328 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.579443 -14.459896 -12.578842 21.426189
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.462251 3.495395 -3.493782 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.427825 -16.856814 -27.625022 36.756266
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 61 49 corr= MP2 , LL1= 780 ID= 7278
-----------------------
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 49 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 -4559.0294133766 -4559.0294133766 0.043404784 0.000000000 0.000000000 1.000000000 30457480 3904717750
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0248845584 0.0045288182 0.006387036 0.001980395 0.000000000 0.000000000 29162498 3905367676
3 2 0 -4559.0249995661 -0.0001150078 0.002559033 0.000721263 0.000000000 0.000000000 28101823 3905537109
4 3 0 -4559.0250117215 -0.0000121554 0.000487206 0.000241255 0.000000000 0.000000000 27591100 3905602727
5 4 0 -4559.0250134138 -0.0000016922 0.000236663 0.000070015 0.000000000 0.000000000 26373466 3905750164
6 5 0 -4559.0250135782 -0.0000001644 0.000101631 0.000023715 0.000000000 0.000000000 25579376 3905854994
7 6 0 -4559.0250135959 -0.0000000177 0.000014930 0.000004027 0.000000000 0.000000000 24639234 3905962756
8 7 0 -4559.0250135964 -0.0000000005 0.000006034 0.000001418 0.000000000 0.000000000 23445083 3906070381
9 8 0 -4559.0250135965 -0.0000000001 0.000001199 0.000000463 0.000000000 0.000000000 23056340 3906110586
10 9 0 -4559.0250135965 0.0000000000 0.000000202 0.000000128 0.000000000 0.000000000 21851235 3906237045
11 10 0 -4559.0250135965 0.0000000000 0.000000087 0.000000028 0.000000000 0.000000000 20915809 3906323039
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.2 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0250135965 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.73 TOTAL CPU TIME= 35117.3 ( 585.3 MIN)
TOTAL WALL CLOCK TIME= 6370.4 SECONDS, CPU UTILIZATION IS 551.25%
RHF RI MP2 ENERGY
ESCF= -4559.0250135965
E(2)= -7.6695773495
E(MP2)= -4566.6945909460
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.455628 -16.905889 -27.560842 36.743817
iFrag= 61 jFrag= 49 EFMOc= -4566.694590946
iFrag= 61 jFrag= 49 EFMOu= -4559.025013596 Tr= 0.000358839
--------------------------------------
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 = -0.0002559449
--------------------------------------
FINAL EFP ENERGY = -0.0002559449
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.190855 -3.301884 0.021740 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.688418 13.505245 -1.505170 16.129036
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.470318 0.296228 -2.137017 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.666893 10.165077 -1.324600 10.272687
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.139732 -1.502828 -1.057638 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.355311 23.670323 -2.829771 25.608858
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 47 8 corr= MP2 , LL1= 780 ID= 7407
-----------------------
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 47 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 -4559.0618663243 -4559.0618663243 0.046417271 0.000000000 0.000000000 1.000000000 23808875 3905408330
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0409120999 0.0209542244 0.011677402 0.002729069 0.000000000 0.000000000 22497523 3905982700
3 2 0 -4559.0411544678 -0.0002423679 0.005149924 0.000988920 0.000000000 0.000000000 21857475 3906094251
4 3 0 -4559.0411879971 -0.0000335294 0.000793077 0.000402746 0.000000000 0.000000000 21563328 3906137076
5 4 0 -4559.0411905165 -0.0000025194 0.000385278 0.000131108 0.000000000 0.000000000 20789822 3906229168
6 5 0 -4559.0411909223 -0.0000004057 0.000114654 0.000035752 0.000000000 0.000000000 20226269 3906307727
7 6 0 -4559.0411909554 -0.0000000331 0.000019914 0.000006660 0.000000000 0.000000000 19737780 3906365650
8 7 0 -4559.0411909565 -0.0000000011 0.000007515 0.000002323 0.000000000 0.000000000 18988936 3906438300
9 8 0 -4559.0411909567 -0.0000000002 0.000001497 0.000001162 0.000000000 0.000000000 18845783 3906457356
10 9 0 -4559.0411909567 0.0000000000 0.000000319 0.000000293 0.000000000 0.000000000 18321339 3906515341
11 10 0 -4559.0411909567 -0.0000000000 0.000000128 0.000000054 0.000000000 0.000000000 17975897 3906552308
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.6 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0411909567 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.97 TOTAL CPU TIME= 35671.3 ( 594.5 MIN)
TOTAL WALL CLOCK TIME= 6468.8 SECONDS, CPU UTILIZATION IS 551.43%
RHF RI MP2 ENERGY
ESCF= -4559.0411909567
E(2)= -7.6672439035
E(MP2)= -4566.7084348601
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.419675 23.760799 -2.802453 25.713024
iFrag= 47 jFrag= 8 EFMOc= -4566.708434860
iFrag= 47 jFrag= 8 EFMOu= -4559.041190957 Tr= 0.000255945
--------------------------------------
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 = -0.0001411728
--------------------------------------
FINAL EFP ENERGY = -0.0001411728
----------------------------------------
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)
6.686588 -5.675612 4.561951 9.886072
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.648810 10.418020 -2.404061 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.947320 -0.967173 6.782052 7.122058
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.713938 6.666194 -3.437648 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.633908 -6.642785 11.344004 15.727599
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 124 31 corr= MP2 , LL1= 780 ID= 7533
-----------------------
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 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 -4559.0609419147 -4559.0609419147 0.035317140 0.000000000 0.000000000 1.000000000 27526310 3905067902
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0613076063 -0.0003656917 0.008440012 0.002306269 0.000000000 0.000000000 26167380 3905647757
3 2 0 -4559.0613943930 -0.0000867867 0.003203995 0.000696920 0.000000000 0.000000000 25443238 3905777144
4 3 0 -4559.0614027283 -0.0000083353 0.000256457 0.000183229 0.000000000 0.000000000 25006232 3905838711
5 4 0 -4559.0614031829 -0.0000004546 0.000156360 0.000060350 0.000000000 0.000000000 23972623 3905944227
6 5 0 -4559.0614032698 -0.0000000869 0.000056916 0.000014077 0.000000000 0.000000000 23130607 3906046908
7 6 0 -4559.0614032774 -0.0000000076 0.000007472 0.000002677 0.000000000 0.000000000 22270381 3906126175
8 7 0 -4559.0614032777 -0.0000000003 0.000003648 0.000001689 0.000000000 0.000000000 21092052 3906245669
9 8 0 -4559.0614032777 -0.0000000000 0.000000676 0.000000286 0.000000000 0.000000000 20675349 3906294508
10 9 0 -4559.0614032777 -0.0000000000 0.000000154 0.000000122 0.000000000 0.000000000 19750420 3906393518
11 10 0 -4559.0614032777 0.0000000000 0.000000082 0.000000023 0.000000000 0.000000000 19199671 3906456140
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 56.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0614032777 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 553.69 TOTAL CPU TIME= 36225.0 ( 603.8 MIN)
TOTAL WALL CLOCK TIME= 6566.8 SECONDS, CPU UTILIZATION IS 551.64%
RHF RI MP2 ENERGY
ESCF= -4559.0614032777
E(2)= -7.6689452480
E(MP2)= -4566.7303485258
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.634608 -6.587025 11.341263 15.702535
iFrag= 124 jFrag= 31 EFMOc= -4566.730348526
iFrag= 124 jFrag= 31 EFMOu= -4559.061403278 Tr= 0.000141173
--------------------------------------
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 = -0.0003812139
--------------------------------------
FINAL EFP ENERGY = -0.0003812139
----------------------------------------
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)
-2.413082 -7.635887 -4.901642 9.389134
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.227568 -3.127243 -6.925006 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.521576 -8.432576 5.854745 10.853013
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.417689 2.959393 -3.809508 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.934658 -16.068464 0.953103 17.155877
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 125 35 corr= MP2 , LL1= 780 ID= 7660
-----------------------
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 35 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 -4559.0865685660 -4559.0865685660 0.060301263 0.000000000 0.000000000 1.000000000 29154143 3904945311
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0435976295 0.0429709365 0.014998731 0.004436197 0.000000000 0.000000000 28126859 3905447773
3 2 0 -4559.0442608491 -0.0006632196 0.007885101 0.001563333 0.000000000 0.000000000 27216869 3905589882
4 3 0 -4559.0443599877 -0.0000991386 0.001176977 0.000727939 0.000000000 0.000000000 26762449 3905643154
5 4 0 -4559.0443693306 -0.0000093429 0.000345365 0.000121052 0.000000000 0.000000000 25600547 3905779990
6 5 0 -4559.0443699033 -0.0000005727 0.000137140 0.000037559 0.000000000 0.000000000 24783462 3905891549
7 6 0 -4559.0443699623 -0.0000000590 0.000019051 0.000010687 0.000000000 0.000000000 24005146 3905995453
8 7 0 -4559.0443699646 -0.0000000023 0.000008357 0.000004205 0.000000000 0.000000000 22987654 3906096017
9 8 0 -4559.0443699651 -0.0000000005 0.000002613 0.000000607 0.000000000 0.000000000 22290329 3906168543
10 9 0 -4559.0443699652 -0.0000000001 0.000000663 0.000000195 0.000000000 0.000000000 21367141 3906257312
11 10 0 -4559.0443699651 0.0000000001 0.000000169 0.000000102 0.000000000 0.000000000 20663885 3906331151
12 11 0 -4559.0443699651 -0.0000000000 0.000000043 0.000000023 0.000000000 0.000000000 19867030 3906414491
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.3 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0443699651 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.36 TOTAL CPU TIME= 36784.4 ( 613.1 MIN)
TOTAL WALL CLOCK TIME= 6666.1 SECONDS, CPU UTILIZATION IS 551.82%
RHF RI MP2 ENERGY
ESCF= -4559.0443699651
E(2)= -7.6709556223
E(MP2)= -4566.7153255875
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.095501 -16.165818 1.013009 17.306502
iFrag= 125 jFrag= 35 EFMOc= -4566.715325587
iFrag= 125 jFrag= 35 EFMOu= -4559.044369965 Tr= 0.000381214
--------------------------------------
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 = -0.0005673478
--------------------------------------
FINAL EFP ENERGY = -0.0005673478
----------------------------------------
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)
-5.704329 -3.646709 4.291807 8.016075
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.551611 -2.597648 0.668213 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.844795 -2.859097 18.077287 25.561679
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.669601 -1.199945 5.397863 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.140466 -6.505805 22.369094 26.269617
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 126 39 corr= MP2 , LL1= 780 ID= 7788
-----------------------
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 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 -4559.0476995060 -4559.0476995060 0.069473402 0.000000000 0.000000000 1.000000000 26389772 3905155046
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0104607473 0.0372387588 0.014271865 0.003279655 0.000000000 0.000000000 25614022 3905655049
3 2 0 -4559.0109947322 -0.0005339850 0.005645099 0.000995901 0.000000000 0.000000000 24927591 3905787257
4 3 0 -4559.0110486011 -0.0000538689 0.000617869 0.000423224 0.000000000 0.000000000 24541924 3905849164
5 4 0 -4559.0110518262 -0.0000032251 0.000296188 0.000169102 0.000000000 0.000000000 23711138 3905957675
6 5 0 -4559.0110524200 -0.0000005937 0.000147990 0.000033432 0.000000000 0.000000000 23123672 3906048906
7 6 0 -4559.0110524777 -0.0000000578 0.000028938 0.000005595 0.000000000 0.000000000 22618865 3906115172
8 7 0 -4559.0110524798 -0.0000000021 0.000009648 0.000002100 0.000000000 0.000000000 21686054 3906216536
9 8 0 -4559.0110524801 -0.0000000003 0.000001284 0.000000464 0.000000000 0.000000000 21307014 3906257556
10 9 0 -4559.0110524801 -0.0000000000 0.000000438 0.000000241 0.000000000 0.000000000 20513376 3906329577
11 10 0 -4559.0110524801 -0.0000000000 0.000000094 0.000000040 0.000000000 0.000000000 20070146 3906368720
12 11 0 -4559.0110524801 -0.0000000000 0.000000046 0.000000011 0.000000000 0.000000000 19283623 3906452782
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0110524801 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.21 TOTAL CPU TIME= 37344.6 ( 622.4 MIN)
TOTAL WALL CLOCK TIME= 6765.4 SECONDS, CPU UTILIZATION IS 551.99%
RHF RI MP2 ENERGY
ESCF= -4559.0110524801
E(2)= -7.6694371144
E(MP2)= -4566.6804895945
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
12.198551 -6.470582 22.325595 26.250815
iFrag= 126 jFrag= 39 EFMOc= -4566.680489595
iFrag= 126 jFrag= 39 EFMOu= -4559.011052480 Tr= 0.000567348
--------------------------------------
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 = -0.0006133102
--------------------------------------
FINAL EFP ENERGY = -0.0006133102
----------------------------------------
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)
-10.868015 -1.899853 15.529625 19.049736
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.588109 -2.358332 -4.703904 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.219452 -0.564652 0.549003 4.292320
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.516978 -0.131658 -2.981984 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.087467 -2.464505 16.078628 22.186205
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 90 42 corr= MP2 , LL1= 780 ID= 7915
-----------------------
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 42 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 -4559.1046620295 -4559.1046620295 0.085585858 0.000000000 0.000000000 1.000000000 28146972 3904990446
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0229863379 0.0816756916 0.007833996 0.003762965 0.000000000 0.000000000 27508828 3905510240
3 2 0 -4559.0235204525 -0.0005341146 0.003403691 0.000911813 0.000000000 0.000000000 26870306 3905638440
4 3 0 -4559.0235770548 -0.0000566023 0.000824486 0.000385900 0.000000000 0.000000000 26528114 3905693661
5 4 0 -4559.0235815472 -0.0000044924 0.000217650 0.000132278 0.000000000 0.000000000 25663886 3905804329
6 5 0 -4559.0235821874 -0.0000006402 0.000154228 0.000039153 0.000000000 0.000000000 25013725 3905900131
7 6 0 -4559.0235822547 -0.0000000673 0.000026355 0.000007576 0.000000000 0.000000000 24479901 3905970941
8 7 0 -4559.0235822570 -0.0000000023 0.000008430 0.000002315 0.000000000 0.000000000 23354449 3906092161
9 8 0 -4559.0235822573 -0.0000000003 0.000002301 0.000000937 0.000000000 0.000000000 22916562 3906136495
10 9 0 -4559.0235822573 -0.0000000001 0.000000458 0.000000292 0.000000000 0.000000000 21733773 3906240011
11 10 0 -4559.0235822573 0.0000000000 0.000000217 0.000000075 0.000000000 0.000000000 21102156 3906301199
12 11 0 -4559.0235822573 -0.0000000000 0.000000060 0.000000016 0.000000000 0.000000000 20432486 3906367416
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.2 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0235822573 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.18 TOTAL CPU TIME= 37903.8 ( 631.7 MIN)
TOTAL WALL CLOCK TIME= 6864.4 SECONDS, CPU UTILIZATION IS 552.18%
RHF RI MP2 ENERGY
ESCF= -4559.0235822573
E(2)= -7.6681163224
E(MP2)= -4566.6916985797
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.176174 -2.569158 16.310247 22.426346
iFrag= 90 jFrag= 42 EFMOc= -4566.691698580
iFrag= 90 jFrag= 42 EFMOu= -4559.023582257 Tr= 0.000613310
--------------------------------------
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 = -0.0003350613
--------------------------------------
FINAL EFP ENERGY = -0.0003350613
----------------------------------------
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)
-2.124964 -1.218394 14.771914 14.973623
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.177364 4.303952 -0.441470 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.537468 -10.751329 6.433138 14.621551
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.374240 -1.884690 0.925551 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.412504 -11.969723 21.205052 24.944412
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 128 44 corr= MP2 , LL1= 780 ID= 8044
-----------------------
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 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 -4559.0582538039 -4559.0582538039 0.033397012 0.000000000 0.000000000 1.000000000 23773783 3905366481
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0471399131 0.0111138908 0.006027169 0.002448353 0.000000000 0.000000000 22773966 3905976494
3 2 0 -4559.0473090704 -0.0001691573 0.003556098 0.000977921 0.000000000 0.000000000 22201109 3906080206
4 3 0 -4559.0473322587 -0.0000231883 0.000573897 0.000290197 0.000000000 0.000000000 21960447 3906117081
5 4 0 -4559.0473343082 -0.0000020496 0.000158138 0.000090821 0.000000000 0.000000000 21395746 3906193287
6 5 0 -4559.0473344977 -0.0000001894 0.000103623 0.000026908 0.000000000 0.000000000 20868420 3906265353
7 6 0 -4559.0473345175 -0.0000000198 0.000023199 0.000005692 0.000000000 0.000000000 20473372 3906320989
8 7 0 -4559.0473345183 -0.0000000008 0.000008065 0.000001843 0.000000000 0.000000000 19803909 3906384920
9 8 0 -4559.0473345184 -0.0000000001 0.000001170 0.000000560 0.000000000 0.000000000 19540807 3906412482
10 9 0 -4559.0473345184 0.0000000000 0.000000287 0.000000205 0.000000000 0.000000000 18752185 3906476610
11 10 0 -4559.0473345184 -0.0000000000 0.000000184 0.000000036 0.000000000 0.000000000 18363196 3906522080
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.7 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0473345184 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.30 TOTAL CPU TIME= 38458.1 ( 641.0 MIN)
TOTAL WALL CLOCK TIME= 6962.7 SECONDS, CPU UTILIZATION IS 552.34%
RHF RI MP2 ENERGY
ESCF= -4559.0473345184
E(2)= -7.6665165644
E(MP2)= -4566.7138510828
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.486686 -11.988219 21.322345 25.069174
iFrag= 128 jFrag= 44 EFMOc= -4566.713851083
iFrag= 128 jFrag= 44 EFMOu= -4559.047334518 Tr= 0.000335061
--------------------------------------
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 = -0.0006543685
--------------------------------------
FINAL EFP ENERGY = -0.0006543685
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.550801 9.022940 -7.118313 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.373978 5.828951 -15.713854 17.096363
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.177364 4.303952 -0.441470 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.382337 -10.761514 6.408271 14.538742
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.364082 6.663446 -3.779891 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.008359 -4.932563 -9.305584 11.269029
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 129 44 corr= MP2 , LL1= 780 ID= 8171
-----------------------
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 129 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 -4559.1251428582 -4559.1251428582 0.095881414 0.000000000 0.000000000 1.000000000 27699496 3905059248
---------------START SECOND ORDER SCF---------------
2 1 0 -4558.9967251331 0.1284177252 0.010376238 0.007014727 0.000000000 0.000000000 26829008 3905590862
3 2 0 -4558.9974397652 -0.0007146321 0.004183441 0.001803054 0.000000000 0.000000000 26074750 3905728243
4 3 0 -4558.9975140117 -0.0000742465 0.000872723 0.000554520 0.000000000 0.000000000 25684050 3905787030
5 4 0 -4558.9975210792 -0.0000070675 0.000271109 0.000241175 0.000000000 0.000000000 24826672 3905901841
6 5 0 -4558.9975218583 -0.0000007792 0.000191774 0.000056512 0.000000000 0.000000000 24095896 3906007681
7 6 0 -4558.9975219606 -0.0000001022 0.000034498 0.000012517 0.000000000 0.000000000 23553038 3906066304
8 7 0 -4558.9975219643 -0.0000000037 0.000011608 0.000004052 0.000000000 0.000000000 22300145 3906183763
9 8 0 -4558.9975219647 -0.0000000005 0.000002309 0.000000730 0.000000000 0.000000000 21846145 3906227217
10 9 0 -4558.9975219647 0.0000000000 0.000000598 0.000000441 0.000000000 0.000000000 21164657 3906301064
11 10 0 -4558.9975219648 -0.0000000001 0.000000242 0.000000085 0.000000000 0.000000000 20523925 3906352806
12 11 0 -4558.9975219648 0.0000000000 0.000000069 0.000000018 0.000000000 0.000000000 19806760 3906421842
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.1 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4558.9975219648 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 558.76 TOTAL CPU TIME= 39016.8 ( 650.3 MIN)
TOTAL WALL CLOCK TIME= 7061.7 SECONDS, CPU UTILIZATION IS 552.51%
RHF RI MP2 ENERGY
ESCF= -4558.9975219648
E(2)= -7.6682846375
E(MP2)= -4566.6658066023
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.898771 -5.018766 -9.234141 11.209719
iFrag= 129 jFrag= 44 EFMOc= -4566.665806602
iFrag= 129 jFrag= 44 EFMOu= -4558.997521965 Tr= 0.000654368
--------------------------------------
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 = -0.0002559605
--------------------------------------
FINAL EFP ENERGY = -0.0002559605
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.550801 9.022940 -7.118313 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.438415 5.828462 -15.796359 17.184837
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
2.607809 9.046029 -0.694010 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.270352 -7.505272 -4.745083 9.165119
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.579305 9.034484 -3.906162 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.708767 -1.676810 -20.541442 21.385802
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 129 125 corr= MP2 , LL1= 780 ID= 8299
-----------------------
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 129 125 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 -4559.0299281451 -4559.0299281451 0.051259767 0.000000000 0.000000000 1.000000000 25405259 3905321659
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0307498754 -0.0008217303 0.010851941 0.002571616 0.000000000 0.000000000 24143948 3905852866
3 2 0 -4559.0309034346 -0.0001535592 0.003954733 0.000608648 0.000000000 0.000000000 23426725 3905966898
4 3 0 -4559.0309178221 -0.0000143875 0.000472854 0.000240119 0.000000000 0.000000000 23061943 3906016060
5 4 0 -4559.0309190475 -0.0000012254 0.000247720 0.000085295 0.000000000 0.000000000 22230050 3906105655
6 5 0 -4559.0309192010 -0.0000001535 0.000100530 0.000022609 0.000000000 0.000000000 21589910 3906194469
7 6 0 -4559.0309192178 -0.0000000168 0.000013177 0.000004308 0.000000000 0.000000000 21191337 3906241365
8 7 0 -4559.0309192185 -0.0000000007 0.000004045 0.000001738 0.000000000 0.000000000 20251443 3906338837
9 8 0 -4559.0309192186 -0.0000000001 0.000001178 0.000000411 0.000000000 0.000000000 19869672 3906377834
10 9 0 -4559.0309192186 -0.0000000000 0.000000265 0.000000208 0.000000000 0.000000000 18967286 3906459780
11 10 0 -4559.0309192186 0.0000000000 0.000000071 0.000000025 0.000000000 0.000000000 18518536 3906503642
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0309192186 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.45 TOTAL CPU TIME= 39571.3 ( 659.5 MIN)
TOTAL WALL CLOCK TIME= 7160.0 SECONDS, CPU UTILIZATION IS 552.68%
RHF RI MP2 ENERGY
ESCF= -4559.0309192186
E(2)= -7.6666618908
E(MP2)= -4566.6975811093
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.724775 -1.743028 -20.527586 21.382071
iFrag= 129 jFrag= 125 EFMOc= -4566.697581109
iFrag= 129 jFrag= 125 EFMOu= -4559.030919219 Tr= 0.000255961
--------------------------------------
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 = -0.0002692767
--------------------------------------
FINAL EFP ENERGY = -0.0002692767
----------------------------------------
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)
1.023617 -10.972334 -6.124439 12.607484
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.588109 -2.358332 -4.703904 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-4.235453 -0.381129 0.353604 4.267243
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.954618 -2.976473 -5.496958 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.211836 -11.353463 -5.770835 13.134670
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 131 42 corr= MP2 , LL1= 780 ID= 8426
-----------------------
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 42 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 -4559.0656819261 -4559.0656819261 0.059949241 0.000000000 0.000000000 1.000000000 22124499 3905608843
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0216867515 0.0439951745 0.008203003 0.003000618 0.000000000 0.000000000 20884184 3906147953
3 2 0 -4559.0219115515 -0.0002248000 0.002885407 0.000969038 0.000000000 0.000000000 20287518 3906248239
4 3 0 -4559.0219366042 -0.0000250527 0.000968888 0.000299283 0.000000000 0.000000000 20020607 3906285996
5 4 0 -4559.0219381131 -0.0000015089 0.000333661 0.000165547 0.000000000 0.000000000 19419707 3906359228
6 5 0 -4559.0219384404 -0.0000003273 0.000131003 0.000040754 0.000000000 0.000000000 18899208 3906430215
7 6 0 -4559.0219384651 -0.0000000247 0.000020490 0.000005065 0.000000000 0.000000000 18370388 3906487466
8 7 0 -4559.0219384658 -0.0000000007 0.000008004 0.000001781 0.000000000 0.000000000 17713685 3906549064
9 8 0 -4559.0219384659 -0.0000000001 0.000001660 0.000000548 0.000000000 0.000000000 17511297 3906569729
10 9 0 -4559.0219384659 0.0000000000 0.000000377 0.000000255 0.000000000 0.000000000 17158292 3906607019
11 10 0 -4559.0219384659 -0.0000000000 0.000000196 0.000000050 0.000000000 0.000000000 16858651 3906635313
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.4 SECONDS ( 5.0 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.1, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0219384659 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 552.98 TOTAL CPU TIME= 40124.3 ( 668.7 MIN)
TOTAL WALL CLOCK TIME= 7257.9 SECONDS, CPU UTILIZATION IS 552.83%
RHF RI MP2 ENERGY
ESCF= -4559.0219384659
E(2)= -7.6655741506
E(MP2)= -4566.6875126165
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.193901 -11.342328 -5.920921 13.187369
iFrag= 131 jFrag= 42 EFMOc= -4566.687512617
iFrag= 131 jFrag= 42 EFMOu= -4559.021938466 Tr= 0.000269277
--------------------------------------
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 = -0.0003204711
--------------------------------------
FINAL EFP ENERGY = -0.0003204711
----------------------------------------
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)
2.928349 0.944082 -9.918814 10.385056
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.308744 4.843723 -9.490749 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.636649 -12.610656 -5.088467 15.131631
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.083001 2.390347 -1.911836 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.564998 -11.666574 -15.007281 21.279488
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 132 40 corr= MP2 , LL1= 780 ID= 8554
-----------------------
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 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 -4559.0342748188 -4559.0342748188 0.043579341 0.000000000 0.000000000 1.000000000 25074826 3905429584
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0341244333 0.0001503855 0.010524270 0.003997485 0.000000000 0.000000000 24126938 3905856879
3 2 0 -4559.0344115419 -0.0002871087 0.004492085 0.001199600 0.000000000 0.000000000 23584214 3905956707
4 3 0 -4559.0344425169 -0.0000309750 0.000658801 0.000369081 0.000000000 0.000000000 23325412 3905999554
5 4 0 -4559.0344440871 -0.0000015702 0.000209034 0.000117337 0.000000000 0.000000000 22638696 3906085526
6 5 0 -4559.0344443377 -0.0000002506 0.000055365 0.000022836 0.000000000 0.000000000 22084815 3906159869
7 6 0 -4559.0344443536 -0.0000000159 0.000011687 0.000003726 0.000000000 0.000000000 21630624 3906209431
8 7 0 -4559.0344443542 -0.0000000006 0.000003909 0.000001540 0.000000000 0.000000000 20743648 3906296571
9 8 0 -4559.0344443543 -0.0000000001 0.000001151 0.000000633 0.000000000 0.000000000 20346736 3906340830
10 9 0 -4559.0344443543 0.0000000000 0.000000235 0.000000291 0.000000000 0.000000000 19678134 3906413579
11 10 0 -4559.0344443543 -0.0000000000 0.000000132 0.000000032 0.000000000 0.000000000 18968601 3906472381
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0344443543 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.00 TOTAL CPU TIME= 40678.3 ( 678.0 MIN)
TOTAL WALL CLOCK TIME= 7356.2 SECONDS, CPU UTILIZATION IS 552.98%
RHF RI MP2 ENERGY
ESCF= -4559.0344443543
E(2)= -7.6677487706
E(MP2)= -4566.7021931249
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.551441 -11.631320 -14.978432 21.233725
iFrag= 132 jFrag= 40 EFMOc= -4566.702193125
iFrag= 132 jFrag= 40 EFMOu= -4559.034444354 Tr= 0.000320471
--------------------------------------
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 = -0.0003960484
--------------------------------------
FINAL EFP ENERGY = -0.0003960484
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
3.743012 6.425396 -4.234808 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.886975 0.596808 8.201216 11.393880
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.494236 4.808626 5.586405 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.048381 -9.014936 6.842924 19.637852
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.618624 5.617011 0.675799 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.161406 -8.418128 15.044141 19.073531
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 133 34 corr= MP2 , LL1= 780 ID= 8679
-----------------------
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 133 34 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 -4559.0495936874 -4559.0495936874 0.044799670 0.000000000 0.000000000 1.000000000 31418936 3904644881
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0484315247 0.0011621627 0.010473771 0.002534043 0.000000000 0.000000000 30273565 3905293685
3 2 0 -4559.0486112446 -0.0001797199 0.004074023 0.000689687 0.000000000 0.000000000 29375715 3905452173
4 3 0 -4559.0486281999 -0.0000169553 0.000452490 0.000386385 0.000000000 0.000000000 28870864 3905524898
5 4 0 -4559.0486297271 -0.0000015272 0.000232064 0.000077157 0.000000000 0.000000000 27795745 3905657741
6 5 0 -4559.0486299109 -0.0000001838 0.000098949 0.000019479 0.000000000 0.000000000 26942811 3905777418
7 6 0 -4559.0486299329 -0.0000000220 0.000017736 0.000003457 0.000000000 0.000000000 26268807 3905846749
8 7 0 -4559.0486299336 -0.0000000007 0.000007727 0.000001829 0.000000000 0.000000000 24658944 3905997339
9 8 0 -4559.0486299337 -0.0000000001 0.000000976 0.000000532 0.000000000 0.000000000 24167928 3906044777
10 9 0 -4559.0486299337 0.0000000000 0.000000224 0.000000161 0.000000000 0.000000000 23044601 3906157917
11 10 0 -4559.0486299337 -0.0000000000 0.000000080 0.000000025 0.000000000 0.000000000 22040895 3906252608
-----------------
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 -4559.0486299337 AFTER 11 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 554.34 TOTAL CPU TIME= 41232.6 ( 687.2 MIN)
TOTAL WALL CLOCK TIME= 7454.5 SECONDS, CPU UTILIZATION IS 553.12%
RHF RI MP2 ENERGY
ESCF= -4559.0486299337
E(2)= -7.6703777211
E(MP2)= -4566.7190076547
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.127070 -8.394011 15.119544 19.107834
iFrag= 133 jFrag= 34 EFMOc= -4566.719007655
iFrag= 133 jFrag= 34 EFMOu= -4559.048629934 Tr= 0.000396048
--------------------------------------
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 = -0.0005164418
--------------------------------------
FINAL EFP ENERGY = -0.0005164418
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-1.771597 0.897440 -5.416300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.873026 -3.173707 -3.957709 5.147626
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.358172 5.089957 -4.721797 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.652999 -4.792289 4.848416 17.994320
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.564885 2.993699 -5.069049 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.779973 -7.965996 0.890707 17.699096
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 95 33 corr= MP2 , LL1= 780 ID= 8807
-----------------------
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 95 33 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 -4559.1120317783 -4559.1120317783 0.108705045 0.000000000 0.000000000 1.000000000 25660468 3905316069
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0221679637 0.0898638146 0.013454264 0.005649727 0.000000000 0.000000000 24674436 3905795141
3 2 0 -4559.0227667443 -0.0005987806 0.006125902 0.001500726 0.000000000 0.000000000 23944616 3905916942
4 3 0 -4559.0228426890 -0.0000759447 0.001150898 0.000648309 0.000000000 0.000000000 23586108 3905965641
5 4 0 -4559.0228471343 -0.0000044453 0.000304765 0.000286348 0.000000000 0.000000000 22814156 3906062279
6 5 0 -4559.0228479518 -0.0000008176 0.000167979 0.000068759 0.000000000 0.000000000 22203769 3906145818
7 6 0 -4559.0228480269 -0.0000000750 0.000040789 0.000013798 0.000000000 0.000000000 21583254 3906221599
8 7 0 -4559.0228480310 -0.0000000041 0.000015763 0.000005055 0.000000000 0.000000000 20711564 3906310338
9 8 0 -4559.0228480315 -0.0000000005 0.000003838 0.000002063 0.000000000 0.000000000 20227958 3906361408
10 9 0 -4559.0228480316 -0.0000000001 0.000000687 0.000000429 0.000000000 0.000000000 19352091 3906438124
11 10 0 -4559.0228480316 -0.0000000000 0.000000295 0.000000073 0.000000000 0.000000000 18684215 3906489871
12 11 0 -4559.0228480316 0.0000000000 0.000000096 0.000000017 0.000000000 0.000000000 18203809 3906543922
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 60.8 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.7 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0228480316 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.56 TOTAL CPU TIME= 41792.2 ( 696.5 MIN)
TOTAL WALL CLOCK TIME= 7553.8 SECONDS, CPU UTILIZATION IS 553.26%
RHF RI MP2 ENERGY
ESCF= -4559.0228480316
E(2)= -7.6669974459
E(MP2)= -4566.6898454774
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.839135 -8.045209 0.859504 17.786015
iFrag= 95 jFrag= 33 EFMOc= -4566.689845477
iFrag= 95 jFrag= 33 EFMOu= -4559.022848032 Tr= 0.000516442
--------------------------------------
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 = -0.0002936036
--------------------------------------
FINAL EFP ENERGY = -0.0002936036
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.868817 2.643422 -1.817194 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.700897 7.168872 15.924879 17.546725
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.729403 0.642106 -2.671233 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.695135 4.171660 4.471142 15.916685
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.430293 1.642764 -2.244213 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-16.396032 11.340532 20.396020 28.520785
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 68 23 corr= MP2 , LL1= 780 ID= 8936
-----------------------
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 68 23 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 -4559.0567327867 -4559.0567327867 0.037223401 0.000000000 0.000000000 1.000000000 25783960 3905232842
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0529726589 0.0037601277 0.008003964 0.002938107 0.000000000 0.000000000 24483493 3905796491
3 2 0 -4559.0532087585 -0.0002360995 0.004541923 0.001102707 0.000000000 0.000000000 23720342 3905927611
4 3 0 -4559.0532409429 -0.0000321844 0.000806579 0.000360424 0.000000000 0.000000000 23415878 3905975633
5 4 0 -4559.0532435659 -0.0000026231 0.000204956 0.000077835 0.000000000 0.000000000 22520529 3906091575
6 5 0 -4559.0532437294 -0.0000001634 0.000068201 0.000015093 0.000000000 0.000000000 21691068 3906208160
7 6 0 -4559.0532437401 -0.0000000107 0.000010041 0.000005218 0.000000000 0.000000000 20996128 3906284275
8 7 0 -4559.0532437405 -0.0000000004 0.000004834 0.000001621 0.000000000 0.000000000 20049244 3906374835
9 8 0 -4559.0532437406 -0.0000000001 0.000000970 0.000000568 0.000000000 0.000000000 19478052 3906431353
10 9 0 -4559.0532437406 -0.0000000000 0.000000414 0.000000111 0.000000000 0.000000000 18507182 3906515864
11 10 0 -4559.0532437406 0.0000000000 0.000000202 0.000000035 0.000000000 0.000000000 18074315 3906557472
12 11 0 -4559.0532437406 0.0000000000 0.000000000 0.000000008 0.000000000 0.000000000 17681699 3906597669
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 55.8 SECONDS ( 4.6 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.0 SEC/ITER)
FINAL RHF ENERGY IS -4559.0532437406 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 559.07 TOTAL CPU TIME= 42351.2 ( 705.9 MIN)
TOTAL WALL CLOCK TIME= 7652.9 SECONDS, CPU UTILIZATION IS 553.40%
RHF RI MP2 ENERGY
ESCF= -4559.0532437406
E(2)= -7.6650142221
E(MP2)= -4566.7182579627
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-16.310644 11.604137 20.352999 28.547114
iFrag= 68 jFrag= 23 EFMOc= -4566.718257963
iFrag= 68 jFrag= 23 EFMOu= -4559.053243741 Tr= 0.000293604
--------------------------------------
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 = -0.0004287293
--------------------------------------
FINAL EFP ENERGY = -0.0004287293
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.247404 -4.872816 2.984121 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.311017 -3.441296 12.397147 13.071824
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
4.389590 8.855373 2.360236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
4.009454 -6.623600 -3.788439 8.619749
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.818497 1.991279 2.672178 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.320471 -10.064896 8.608708 14.675160
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 136 21 corr= MP2 , LL1= 780 ID= 9065
-----------------------
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 136 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 -4559.0653162786 -4559.0653162786 0.049433099 0.000000000 0.000000000 1.000000000 29030572 3904950679
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0639465305 0.0013697481 0.014104785 0.003977823 0.000000000 0.000000000 28188255 3905450119
3 2 0 -4559.0643297891 -0.0003832586 0.006323568 0.001171693 0.000000000 0.000000000 27314289 3905599027
4 3 0 -4559.0643740956 -0.0000443065 0.000696200 0.000468622 0.000000000 0.000000000 26842717 3905662692
5 4 0 -4559.0643764877 -0.0000023921 0.000248469 0.000146598 0.000000000 0.000000000 25790299 3905788708
6 5 0 -4559.0643768922 -0.0000004044 0.000057439 0.000021155 0.000000000 0.000000000 25062402 3905889079
7 6 0 -4559.0643769234 -0.0000000313 0.000017114 0.000005155 0.000000000 0.000000000 24396409 3905972415
8 7 0 -4559.0643769250 -0.0000000016 0.000007396 0.000003454 0.000000000 0.000000000 23044409 3906102168
9 8 0 -4559.0643769252 -0.0000000002 0.000002257 0.000001474 0.000000000 0.000000000 22462578 3906161110
10 9 0 -4559.0643769253 -0.0000000000 0.000000449 0.000000324 0.000000000 0.000000000 21180699 3906280486
11 10 0 -4559.0643769253 -0.0000000000 0.000000126 0.000000044 0.000000000 0.000000000 20439731 3906347023
12 11 0 -4559.0643769252 0.0000000000 0.000000040 0.000000014 0.000000000 0.000000000 19665459 3906429428
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 61.2 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.6 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0643769252 AFTER 12 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 560.01 TOTAL CPU TIME= 42911.2 ( 715.2 MIN)
TOTAL WALL CLOCK TIME= 7752.3 SECONDS, CPU UTILIZATION IS 553.53%
RHF RI MP2 ENERGY
ESCF= -4559.0643769252
E(2)= -7.6683463946
E(MP2)= -4566.7327233199
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.380919 -10.163182 8.767054 14.861616
iFrag= 136 jFrag= 21 EFMOc= -4566.732723320
iFrag= 136 jFrag= 21 EFMOu= -4559.064376925 Tr= 0.000428729
--------------------------------------
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 = -0.0001691485
--------------------------------------
FINAL EFP ENERGY = -0.0001691485
----------------------------------------
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)
0.537613 11.665765 -17.926848 21.395116
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.446860 3.523964 -6.271998 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-1.050084 -4.292859 -5.499039 7.054838
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.109476 3.187409 -5.948292 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.512471 7.372906 -23.425887 24.564090
cpu time efp_pol (s)= 0.00 nproc= 8
RHF dimer 137 13 corr= MP2 , LL1= 780 ID= 9192
-----------------------
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 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 -4559.0416547508 -4559.0416547508 0.030162093 0.000000000 0.000000000 1.000000000 28297196 3905079854
---------------START SECOND ORDER SCF---------------
2 1 0 -4559.0422563867 -0.0006016358 0.006376962 0.001853886 0.000000000 0.000000000 27082117 3905604059
3 2 0 -4559.0423337332 -0.0000773465 0.002182853 0.000463291 0.000000000 0.000000000 26342641 3905729192
4 3 0 -4559.0423398575 -0.0000061244 0.000313548 0.000230781 0.000000000 0.000000000 25915953 3905790315
5 4 0 -4559.0423406634 -0.0000008059 0.000117905 0.000045687 0.000000000 0.000000000 24919514 3905906223
6 5 0 -4559.0423407052 -0.0000000418 0.000046681 0.000011727 0.000000000 0.000000000 24244693 3905996072
7 6 0 -4559.0423407112 -0.0000000059 0.000003255 0.000001571 0.000000000 0.000000000 23860730 3906038634
8 7 0 -4559.0423407113 -0.0000000002 0.000002602 0.000000684 0.000000000 0.000000000 22453432 3906193797
9 8 0 -4559.0423407113 -0.0000000000 0.000000360 0.000000224 0.000000000 0.000000000 22034574 3906236737
10 9 0 -4559.0423407113 0.0000000000 0.000000121 0.000000105 0.000000000 0.000000000 20838879 3906344055
-----------------
DENSITY CONVERGED
-----------------
TIME TO FORM FOCK OPERATORS= 51.0 SECONDS ( 5.1 SEC/ITER)
FOCK TIME ON FIRST ITERATION= 5.2, LAST ITERATION= 5.0
TIME TO SOLVE SCF EQUATIONS= 0.5 SECONDS ( 0.1 SEC/ITER)
FINAL RHF ENERGY IS -4559.0423407113 AFTER 10 ITERATIONS
...... END OF RHF CALCULATION ......
CPU 0: STEP CPU TIME= 549.76 TOTAL CPU TIME= 43461.0 ( 724.4 MIN)
TOTAL WALL CLOCK TIME= 7849.5 SECONDS, CPU UTILIZATION IS 553.68%
RHF RI MP2 ENERGY
ESCF= -4559.0423407113
E(2)= -7.6683484796
E(MP2)= -4566.7106891909
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-1.120298 -0.258809 0.956545 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.495893 7.353577 -23.382196 24.516282
iFrag= 137 jFrag= 13 EFMOc= -4566.710689191
iFrag= 137 jFrag= 13 EFMOu= -4559.042340711 Tr= 0.000169149
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0020702477
CHARGE-DIPOLE = -0.0003300974
CHARGE-QUADRUPOLE = 0.0000073523
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000412183
DIPOLE-QUADRUPOLE = 0.0001524468
QUADRUPOLE-QUADRUPOLE = -0.0000026144
OVERLAP PEN. ENERGY = -0.0000000434
--------------
ELECTROSTATIC ENERGY = -0.0022019856
REPULSION ENERGY = -0.0000008546
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001002908
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000752181
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0023031310
----------------------------------------
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)
11.351369 3.195597 -5.153993 12.869695
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.397558 21.389025 19.615464 37.914346
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-22.717275 -8.832309 11.245324 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.046190 24.584622 14.461470 31.364643
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 93 3, L1= 953 is -8306.007831897
CPU 0: STEP CPU TIME= 499.08 TOTAL CPU TIME= 43960.1 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7936.7 SECONDS, CPU UTILIZATION IS 553.89%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0003254753
CHARGE-DIPOLE = -0.0001353090
CHARGE-QUADRUPOLE = -0.0000169674
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000130417
DIPOLE-QUADRUPOLE = -0.0000000509
QUADRUPOLE-QUADRUPOLE = -0.0000002369
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0004910813
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000052512
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000039384
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0004963326
----------------------------------------
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)
0.658731 0.550400 1.631054 1.843151
FRAGMENT 2 MSN3
X Y Z (BOHR) CHARGE
-30.088233 -11.455627 13.132519 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-24.397558 21.389025 19.615464 37.914346
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-20.172266 -4.708026 5.853328 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-23.738827 21.939425 21.246517 38.681840
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 130 3, L1= 953 is -8306.012227762
CPU 0: STEP CPU TIME= 0.13 TOTAL CPU TIME= 43960.2 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7936.8 SECONDS, CPU UTILIZATION IS 553.88%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0009818328
CHARGE-DIPOLE = -0.0015342245
CHARGE-QUADRUPOLE = -0.0000686967
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0004385220
DIPOLE-QUADRUPOLE = 0.0000976604
QUADRUPOLE-QUADRUPOLE = -0.0000209932
OVERLAP PEN. ENERGY = -0.0000000030
--------------
ELECTROSTATIC ENERGY = -0.0029466118
REPULSION ENERGY = -0.0000001927
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001481372
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001111029
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0030949417
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
0.550801 9.022940 -7.118313 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.394418 5.886604 -15.770755 17.172387
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-11.413461 -3.996598 12.332552 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-19.177188 29.300260 -17.243593 39.033464
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 129 1, L1= 942 is -8684.790451444
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 43960.4 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7937.0 SECONDS, CPU UTILIZATION IS 553.87%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0004374711
CHARGE-DIPOLE = 0.0000379260
CHARGE-QUADRUPOLE = -0.0000002998
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000321614
DIPOLE-QUADRUPOLE = -0.0000047177
QUADRUPOLE-QUADRUPOLE = 0.0000002283
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0004384465
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000102598
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000076949
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0004281867
----------------------------------------
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)
6.564569 -19.032262 19.723292 28.183840
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-10.015169 -7.439773 16.443616 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.218201 4.381394 18.250454 20.910545
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 127 1, L1= 942 is -8684.776869035
CPU 0: STEP CPU TIME= 0.13 TOTAL CPU TIME= 43960.5 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7937.2 SECONDS, CPU UTILIZATION IS 553.86%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0043947836
CHARGE-DIPOLE = 0.0004630862
CHARGE-QUADRUPOLE = -0.0000202363
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0002977860
DIPOLE-QUADRUPOLE = -0.0000569251
QUADRUPOLE-QUADRUPOLE = 0.0000124173
OVERLAP PEN. ENERGY = -0.0000000101
--------------
ELECTROSTATIC ENERGY = 0.0044953296
REPULSION ENERGY = -0.0000003098
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001209019
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000906764
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0043741180
----------------------------------------
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)
6.740922 -5.668931 4.593007 9.933405
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-11.007781 -6.014181 13.206848 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-9.041848 17.744725 3.120169 20.158515
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 124 1, L1= 942 is -8684.785992804
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 43960.6 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7937.3 SECONDS, CPU UTILIZATION IS 553.85%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0009374875
CHARGE-DIPOLE = 0.0005256722
CHARGE-QUADRUPOLE = 0.0000123826
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000879345
DIPOLE-QUADRUPOLE = -0.0000396786
QUADRUPOLE-QUADRUPOLE = 0.0000039203
OVERLAP PEN. ENERGY = -0.0000000003
--------------
ELECTROSTATIC ENERGY = 0.0015277182
REPULSION ENERGY = -0.0000000214
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000344104
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000258078
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0014932865
----------------------------------------
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)
17.253204 -5.147231 14.768956 23.287101
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-9.710953 -6.069605 14.407724 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.470434 18.266426 13.296118 22.640920
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 122 1, L1= 942 is -8684.781232134
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 43960.8 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7937.5 SECONDS, CPU UTILIZATION IS 553.84%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0009748144
CHARGE-DIPOLE = 0.0010633643
CHARGE-QUADRUPOLE = -0.0001395116
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002351663
DIPOLE-QUADRUPOLE = -0.0000326718
QUADRUPOLE-QUADRUPOLE = -0.0000095747
OVERLAP PEN. ENERGY = -0.0000000003
--------------
ELECTROSTATIC ENERGY = 0.0020915867
REPULSION ENERGY = -0.0000000285
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000787249
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000590437
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0020128333
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-3.934245 -1.977295 3.930397 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.627748 8.213753 2.658284 11.520189
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-12.894814 -7.629835 15.981799 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-23.410518 31.627409 1.185446 39.366873
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 85 1, L1= 942 is -8684.751937218
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 43960.9 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7937.7 SECONDS, CPU UTILIZATION IS 553.83%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0002159799
CHARGE-DIPOLE = -0.0001111617
CHARGE-QUADRUPOLE = -0.0000971433
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000333562
DIPOLE-QUADRUPOLE = 0.0000238482
QUADRUPOLE-QUADRUPOLE = 0.0000010688
OVERLAP PEN. ENERGY = -0.0000000000
--------------
ELECTROSTATIC ENERGY = -0.0004327241
REPULSION ENERGY = -0.0000000002
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000354121
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000265591
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0004681364
----------------------------------------
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)
-2.143802 5.539506 -5.656170 8.202089
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-12.863639 -4.738004 16.711699 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-17.926572 28.953162 -7.129008 34.791815
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 59 1, L1= 942 is -8684.784383090
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 43961.1 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7937.8 SECONDS, CPU UTILIZATION IS 553.82%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0022554017
CHARGE-DIPOLE = -0.0001839678
CHARGE-QUADRUPOLE = -0.0002642448
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001580165
DIPOLE-QUADRUPOLE = -0.0000211814
QUADRUPOLE-QUADRUPOLE = -0.0000274905
OVERLAP PEN. ENERGY = -0.0000000098
--------------
ELECTROSTATIC ENERGY = -0.0025942794
REPULSION ENERGY = -0.0000005533
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000962210
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000721658
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0026910537
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-5.095126 7.247145 -8.360755 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.744843 -2.045186 -20.391870 20.677169
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-13.278238 -4.583121 11.922189 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-13.037927 21.368470 -21.864709 33.236494
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 58 1, L1= 942 is -8684.789734283
CPU 0: STEP CPU TIME= 0.15 TOTAL CPU TIME= 43961.2 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7938.0 SECONDS, CPU UTILIZATION IS 553.81%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0001379508
CHARGE-DIPOLE = 0.0005325883
CHARGE-QUADRUPOLE = -0.0000501002
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001727998
DIPOLE-QUADRUPOLE = -0.0000017121
QUADRUPOLE-QUADRUPOLE = 0.0000000461
OVERLAP PEN. ENERGY = 0.0000000000
--------------
ELECTROSTATIC ENERGY = 0.0005156710
REPULSION ENERGY = 0.0000000000
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000144840
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000108630
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0005011870
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.742987 4.020105 0.040641 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.344316 -3.565848 2.671815 14.068569
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-11.349985 -5.648971 14.697062 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.438454 19.847808 1.198976 20.032950
cpu time efp_dimer (s)= 0.12 nproc= 8
energy of the separated dimer 29 1, L1= 942 is -8684.787806976
CPU 0: STEP CPU TIME= 0.13 TOTAL CPU TIME= 43961.4 ( 732.7 MIN)
TOTAL WALL CLOCK TIME= 7938.1 SECONDS, CPU UTILIZATION IS 553.80%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0023296126
CHARGE-DIPOLE = 0.0002741085
CHARGE-QUADRUPOLE = 0.0002692602
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0001249924
DIPOLE-QUADRUPOLE = 0.0000277206
QUADRUPOLE-QUADRUPOLE = 0.0000646177
OVERLAP PEN. ENERGY = -0.0000129215
--------------
ELECTROSTATIC ENERGY = 0.0028274058
REPULSION ENERGY = -0.0002817866
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0003030492
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002272869
CHARGE TRANSFER ENRGY = 0.0000105752
--------------------------------------
FINAL EFP ENERGY = 0.0022531452
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.580385 -2.261774 -2.293038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.516833 2.822594 4.913229 5.865802
FRAGMENT 2 MSN1FN
X Y Z (BOHR) CHARGE
-17.313963 -10.417539 21.925276 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.782770 23.413657 -1.472838 28.274802
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-11.787077 -7.723794 13.926278 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.265937 26.236250 3.440391 30.061505
cpu time efp_dimer (s)= 7.01 nproc= 8
energy of the separated dimer 55 1, L1= 942 is -8684.782359773
CPU 0: STEP CPU TIME= 13.50 TOTAL CPU TIME= 43974.9 ( 732.9 MIN)
TOTAL WALL CLOCK TIME= 7945.2 SECONDS, CPU UTILIZATION IS 553.48%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0015756690
CHARGE-DIPOLE = -0.0010338159
CHARGE-QUADRUPOLE = 0.0000446392
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0001774604
DIPOLE-QUADRUPOLE = 0.0000384432
QUADRUPOLE-QUADRUPOLE = -0.0000192840
OVERLAP PEN. ENERGY = -0.0000004334
--------------
ELECTROSTATIC ENERGY = -0.0027235802
REPULSION ENERGY = -0.0000338828
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002845273
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002133955
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0030419904
----------------------------------------
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)
-9.110425 2.210521 7.000076 11.699884
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.446860 3.523964 -6.271998 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.991324 -4.305385 -5.578056 7.115741
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.185401 2.628458 -5.040315 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.101749 -2.094864 1.422019 10.414218
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 89 13, L1= 780 is -4559.056024002
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43975.0 ( 732.9 MIN)
TOTAL WALL CLOCK TIME= 7945.3 SECONDS, CPU UTILIZATION IS 553.47%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0011624891
CHARGE-DIPOLE = -0.0006398976
CHARGE-QUADRUPOLE = -0.0002900987
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000944483
DIPOLE-QUADRUPOLE = -0.0000552164
QUADRUPOLE-QUADRUPOLE = -0.0000385640
OVERLAP PEN. ENERGY = -0.0000009555
--------------
ELECTROSTATIC ENERGY = -0.0022816696
REPULSION ENERGY = -0.0000295250
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001385282
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001038962
CHARGE TRANSFER ENRGY = -0.0000010632
--------------------------------------
FINAL EFP ENERGY = -0.0024507860
----------------------------------------
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)
-2.327895 -7.521232 -4.822129 9.232603
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
5.322898 10.514235 -4.794131 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-3.388207 1.424465 -4.199403 5.580684
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.965353 9.780132 -2.744071 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.716101 -6.096767 -9.021533 12.297660
cpu time efp_dimer (s)= 1.94 nproc= 8
energy of the separated dimer 125 10, L1= 780 is -4559.040909146
CPU 0: STEP CPU TIME= 2.85 TOTAL CPU TIME= 43977.8 ( 733.0 MIN)
TOTAL WALL CLOCK TIME= 7947.4 SECONDS, CPU UTILIZATION IS 553.36%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0029027702
CHARGE-DIPOLE = 0.0022287179
CHARGE-QUADRUPOLE = -0.0006858722
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0004063561
DIPOLE-QUADRUPOLE = -0.0001780385
QUADRUPOLE-QUADRUPOLE = -0.0000454822
OVERLAP PEN. ENERGY = -0.0000377929
--------------
ELECTROSTATIC ENERGY = 0.0045906586
REPULSION ENERGY = -0.0002468289
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0003113960
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002335470
CHARGE TRANSFER ENRGY = -0.0000506355
--------------------------------------
FINAL EFP ENERGY = 0.0039817983
----------------------------------------
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)
17.253204 -5.147231 14.768956 23.287101
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.174656 3.608286 -2.562328 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.629370 -14.411196 -12.478959 21.357241
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.940045 3.177424 -1.698854 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
26.882574 -19.558426 2.289997 33.323399
cpu time efp_dimer (s)= 2.03 nproc= 8
energy of the separated dimer 122 49, L1= 780 is -4559.033693198
CPU 0: STEP CPU TIME= 3.09 TOTAL CPU TIME= 43980.9 ( 733.0 MIN)
TOTAL WALL CLOCK TIME= 7949.4 SECONDS, CPU UTILIZATION IS 553.26%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0040722108
CHARGE-DIPOLE = 0.0028081859
CHARGE-QUADRUPOLE = -0.0003646896
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0004826424
DIPOLE-QUADRUPOLE = -0.0001219571
QUADRUPOLE-QUADRUPOLE = -0.0000176108
OVERLAP PEN. ENERGY = -0.0000356173
--------------
ELECTROSTATIC ENERGY = 0.0068231643
REPULSION ENERGY = -0.0003429232
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0003890801
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002918101
CHARGE TRANSFER ENRGY = 0.0000137465
--------------------------------------
FINAL EFP ENERGY = 0.0061049074
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-4.319815 -2.589453 1.635054 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.015144 1.414588 -1.079679 8.210316
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.131578 -5.314389 1.888818 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.234688 6.743147 -17.158282 19.804479
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.905882 -3.951921 1.761936 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.780455 8.157736 -18.237961 19.994524
cpu time efp_dimer (s)= 1.96 nproc= 8
energy of the separated dimer 43 17, L1= 780 is -4559.049247880
CPU 0: STEP CPU TIME= 2.90 TOTAL CPU TIME= 43983.8 ( 733.1 MIN)
TOTAL WALL CLOCK TIME= 7951.4 SECONDS, CPU UTILIZATION IS 553.16%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0052212511
CHARGE-DIPOLE = -0.0032128410
CHARGE-QUADRUPOLE = -0.0001071298
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0004953753
DIPOLE-QUADRUPOLE = -0.0000310560
QUADRUPOLE-QUADRUPOLE = -0.0000024226
OVERLAP PEN. ENERGY = -0.0000081636
--------------
ELECTROSTATIC ENERGY = -0.0090782394
REPULSION ENERGY = -0.0001417581
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0003819436
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002864577
CHARGE TRANSFER ENRGY = -0.0000150076
--------------------------------------
FINAL EFP ENERGY = -0.0096169488
----------------------------------------
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)
1.786621 1.466044 11.460755 11.691459
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.749846 3.382504 -4.425236 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.838727 -2.370153 -15.127427 17.201811
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.830562 1.191935 1.863194 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.625347 -0.904109 -3.666672 10.339691
cpu time efp_dimer (s)= 1.95 nproc= 8
energy of the separated dimer 117 61, L1= 780 is -4559.063016282
CPU 0: STEP CPU TIME= 2.88 TOTAL CPU TIME= 43986.7 ( 733.1 MIN)
TOTAL WALL CLOCK TIME= 7953.4 SECONDS, CPU UTILIZATION IS 553.05%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0004152259
CHARGE-DIPOLE = 0.0003515300
CHARGE-QUADRUPOLE = -0.0002019732
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000690566
DIPOLE-QUADRUPOLE = -0.0000624589
QUADRUPOLE-QUADRUPOLE = -0.0000008977
OVERLAP PEN. ENERGY = -0.0000000023
--------------
ELECTROSTATIC ENERGY = 0.0005704803
REPULSION ENERGY = -0.0000002279
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000648136
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000486102
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0005054388
----------------------------------------
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)
8.477265 2.707022 2.167277 9.159098
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.621198 0.989815 0.169777 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.691951 1.612858 3.454244 6.850651
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
2.321088 2.661171 -0.435474 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.785314 4.319880 5.621520 7.617141
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 114 69, L1= 780 is -4559.049479570
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43986.8 ( 733.1 MIN)
TOTAL WALL CLOCK TIME= 7953.5 SECONDS, CPU UTILIZATION IS 553.05%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0029228387
CHARGE-DIPOLE = -0.0018261404
CHARGE-QUADRUPOLE = -0.0001023154
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0002819296
DIPOLE-QUADRUPOLE = -0.0000513903
QUADRUPOLE-QUADRUPOLE = 0.0000251116
OVERLAP PEN. ENERGY = -0.0000002530
--------------
ELECTROSTATIC ENERGY = -0.0051597559
REPULSION ENERGY = -0.0000133923
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001552441
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001164331
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0053283922
----------------------------------------
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)
8.477265 2.707022 2.167277 9.159098
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.839858 6.778210 6.140293 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.143802 5.539506 -5.656170 8.202089
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.711758 5.555369 2.549784 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.333463 8.246528 -3.488893 10.967696
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 114 59, L1= 780 is -4559.053548417
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43986.9 ( 733.1 MIN)
TOTAL WALL CLOCK TIME= 7953.6 SECONDS, CPU UTILIZATION IS 553.04%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0006289216
CHARGE-DIPOLE = -0.0004334049
CHARGE-QUADRUPOLE = 0.0000994073
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000731173
DIPOLE-QUADRUPOLE = 0.0000269370
QUADRUPOLE-QUADRUPOLE = 0.0000055533
OVERLAP PEN. ENERGY = -0.0000000034
--------------
ELECTROSTATIC ENERGY = -0.0010035497
REPULSION ENERGY = -0.0000004231
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000659023
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000494267
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = -0.0010698751
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
0.742987 4.020105 0.040641 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.344316 -3.565848 2.671815 14.068569
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.693019 12.693012 -0.101654 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.987718 4.972381 -3.923286 10.194135
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.218003 8.356559 -0.030507 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
21.332034 1.406533 -1.251471 21.414952
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 29 20, L1= 780 is -4559.033272491
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43987.0 ( 733.1 MIN)
TOTAL WALL CLOCK TIME= 7953.7 SECONDS, CPU UTILIZATION IS 553.04%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0003689997
CHARGE-DIPOLE = 0.0000159832
CHARGE-QUADRUPOLE = 0.0004141663
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000340260
DIPOLE-QUADRUPOLE = 0.0001315836
QUADRUPOLE-QUADRUPOLE = 0.0000078196
OVERLAP PEN. ENERGY = -0.0000014899
--------------
ELECTROSTATIC ENERGY = 0.0009030366
REPULSION ENERGY = -0.0000308933
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002266037
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001699528
CHARGE TRANSFER ENRGY = -0.0000047865
--------------------------------------
FINAL EFP ENERGY = 0.0006407529
----------------------------------------
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)
19.482629 -0.570420 -6.750450 20.626847
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.444725 15.980378 -13.231866 20.752169
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.672666 0.948648 -6.590646 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
19.037904 15.409958 -19.982316 31.610149
cpu time efp_dimer (s)= 1.93 nproc= 8
energy of the separated dimer 41 15, L1= 780 is -4559.052474670
CPU 0: STEP CPU TIME= 2.82 TOTAL CPU TIME= 43989.8 ( 733.2 MIN)
TOTAL WALL CLOCK TIME= 7955.7 SECONDS, CPU UTILIZATION IS 552.94%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0017835813
CHARGE-DIPOLE = 0.0013000408
CHARGE-QUADRUPOLE = -0.0004906572
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002284684
DIPOLE-QUADRUPOLE = -0.0001367812
QUADRUPOLE-QUADRUPOLE = -0.0000227409
OVERLAP PEN. ENERGY = -0.0000005638
--------------
ELECTROSTATIC ENERGY = 0.0026613474
REPULSION ENERGY = -0.0000238880
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001472276
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001104207
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0024902318
----------------------------------------
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)
1.767866 -10.131579 0.017348 10.284675
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
3.340083 2.366448 -0.459878 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.245111 0.356537 6.071229 6.086626
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.012440 -4.397081 2.080866 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.012977 -9.775042 6.088576 11.690778
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 79 46, L1= 780 is -4559.047803683
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43989.9 ( 733.2 MIN)
TOTAL WALL CLOCK TIME= 7955.8 SECONDS, CPU UTILIZATION IS 552.93%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0008454302
CHARGE-DIPOLE = 0.0005207943
CHARGE-QUADRUPOLE = -0.0000535316
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000784479
DIPOLE-QUADRUPOLE = -0.0000093040
QUADRUPOLE-QUADRUPOLE = -0.0000078967
OVERLAP PEN. ENERGY = -0.0000051077
--------------
ELECTROSTATIC ENERGY = 0.0013688325
REPULSION ENERGY = -0.0000207860
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002038447
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001528835
CHARGE TRANSFER ENRGY = -0.0000171026
--------------------------------------
FINAL EFP ENERGY = 0.0011270992
----------------------------------------
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)
0.439170 -7.804958 0.445140 7.829967
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.584579 6.823508 -4.490443 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.368270 7.103608 12.545477 16.190789
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.348337 3.289053 -3.799024 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.929100 -0.701350 12.990617 14.739757
cpu time efp_dimer (s)= 1.93 nproc= 8
energy of the separated dimer 157 73, L1= 780 is -4559.052544656
CPU 0: STEP CPU TIME= 2.81 TOTAL CPU TIME= 43992.7 ( 733.2 MIN)
TOTAL WALL CLOCK TIME= 7957.8 SECONDS, CPU UTILIZATION IS 552.83%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0006721979
CHARGE-DIPOLE = 0.0005173636
CHARGE-QUADRUPOLE = -0.0001449424
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001063988
DIPOLE-QUADRUPOLE = -0.0000692903
QUADRUPOLE-QUADRUPOLE = 0.0000073270
OVERLAP PEN. ENERGY = -0.0000000182
--------------
ELECTROSTATIC ENERGY = 0.0010890365
REPULSION ENERGY = -0.0000015917
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001302783
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000977087
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0009571665
----------------------------------------
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)
0.695186 -3.342795 -6.090822 6.982526
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
0.584579 6.823508 -4.490443 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.368270 7.103608 12.545477 16.190789
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.651743 7.825044 -4.873191 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.673084 3.760813 6.454655 10.016803
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 155 73, L1= 780 is -4559.027565516
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43992.8 ( 733.2 MIN)
TOTAL WALL CLOCK TIME= 7957.9 SECONDS, CPU UTILIZATION IS 552.82%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0006048488
CHARGE-DIPOLE = 0.0001974402
CHARGE-QUADRUPOLE = 0.0004203515
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000005140
DIPOLE-QUADRUPOLE = 0.0001382714
QUADRUPOLE-QUADRUPOLE = 0.0000016124
OVERLAP PEN. ENERGY = -0.0000000370
--------------
ELECTROSTATIC ENERGY = 0.0013619733
REPULSION ENERGY = -0.0000018570
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001073460
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000805095
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0012527702
----------------------------------------
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)
0.695186 -3.342795 -6.090822 6.982526
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.505678 -2.301525 2.626947 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.064306 4.777385 3.755433 8.585016
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.106615 3.262528 -1.314495 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.369120 1.434591 -2.335389 6.028229
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 155 57, L1= 780 is -4559.022920583
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43992.9 ( 733.2 MIN)
TOTAL WALL CLOCK TIME= 7958.0 SECONDS, CPU UTILIZATION IS 552.82%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0013756410
CHARGE-DIPOLE = -0.0011266723
CHARGE-QUADRUPOLE = 0.0003169931
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0002205008
DIPOLE-QUADRUPOLE = 0.0000971656
QUADRUPOLE-QUADRUPOLE = 0.0000141308
OVERLAP PEN. ENERGY = -0.0000177788
--------------
ELECTROSTATIC ENERGY = -0.0023123034
REPULSION ENERGY = -0.0003402376
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0003024226
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002268170
CHARGE TRANSFER ENRGY = 0.0000147708
--------------------------------------
FINAL EFP ENERGY = -0.0029401928
----------------------------------------
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)
0.695186 -3.342795 -6.090822 6.982526
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-5.358172 5.089957 -4.721797 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
16.669019 -4.876609 4.870091 18.037608
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-2.319632 6.958269 -4.988868 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
17.364205 -8.219404 -1.220731 19.250049
cpu time efp_dimer (s)= 1.94 nproc= 8
energy of the separated dimer 155 33, L1= 780 is -4559.027862735
CPU 0: STEP CPU TIME= 2.86 TOTAL CPU TIME= 43995.7 ( 733.3 MIN)
TOTAL WALL CLOCK TIME= 7959.9 SECONDS, CPU UTILIZATION IS 552.71%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0011810770
CHARGE-DIPOLE = -0.0008527636
CHARGE-QUADRUPOLE = 0.0000057675
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0001559434
DIPOLE-QUADRUPOLE = 0.0000172965
QUADRUPOLE-QUADRUPOLE = -0.0000232225
OVERLAP PEN. ENERGY = -0.0000408107
--------------
ELECTROSTATIC ENERGY = -0.0022307532
REPULSION ENERGY = -0.0004573885
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0004662386
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0003496790
CHARGE TRANSFER ENRGY = 0.0000038736
--------------------------------------
FINAL EFP ENERGY = -0.0031505067
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-0.580385 -2.261774 -2.293038 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.516833 2.822594 4.913229 5.865802
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.723119 -5.575458 8.359485 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.756280 3.634339 -15.440610 22.358024
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.151752 -3.918616 3.033224 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.239447 6.456932 -10.527381 18.848861
cpu time efp_dimer (s)= 1.93 nproc= 8
energy of the separated dimer 55 14, L1= 780 is -4559.054461341
CPU 0: STEP CPU TIME= 2.82 TOTAL CPU TIME= 43998.5 ( 733.3 MIN)
TOTAL WALL CLOCK TIME= 7962.0 SECONDS, CPU UTILIZATION IS 552.61%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0021366538
CHARGE-DIPOLE = 0.0012072576
CHARGE-QUADRUPOLE = 0.0003920693
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001653968
DIPOLE-QUADRUPOLE = 0.0001395418
QUADRUPOLE-QUADRUPOLE = -0.0000131034
OVERLAP PEN. ENERGY = -0.0000000954
--------------
ELECTROSTATIC ENERGY = 0.0040277204
REPULSION ENERGY = -0.0000096901
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002206753
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001655065
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0037973550
----------------------------------------
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)
-2.510738 17.902996 4.119887 18.541698
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
2.759721 1.438060 -0.690742 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.309123 1.820741 -8.654480 8.849332
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.826378 2.468366 1.024168 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.201614 19.723737 -4.534592 20.357688
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 150 112, L1= 780 is -4559.033116748
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 43998.6 ( 733.3 MIN)
TOTAL WALL CLOCK TIME= 7962.1 SECONDS, CPU UTILIZATION IS 552.60%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0004727583
CHARGE-DIPOLE = -0.0003321654
CHARGE-QUADRUPOLE = -0.0000205882
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0000525569
DIPOLE-QUADRUPOLE = -0.0000278907
QUADRUPOLE-QUADRUPOLE = 0.0000200673
OVERLAP PEN. ENERGY = -0.0000166987
--------------
ELECTROSTATIC ENERGY = -0.0009025908
REPULSION ENERGY = -0.0001389462
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002830808
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002123106
CHARGE TRANSFER ENRGY = -0.0000334631
--------------------------------------
FINAL EFP ENERGY = -0.0013580809
----------------------------------------
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)
-2.510738 17.902996 4.119887 18.541698
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-6.012497 3.193300 -1.951300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.912256 -1.675371 1.014549 4.375148
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.212487 3.345986 0.393889 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
1.401518 16.227625 5.134436 17.078130
cpu time efp_dimer (s)= 1.98 nproc= 8
energy of the separated dimer 150 74, L1= 780 is -4559.029926404
CPU 0: STEP CPU TIME= 2.95 TOTAL CPU TIME= 44001.6 ( 733.4 MIN)
TOTAL WALL CLOCK TIME= 7964.1 SECONDS, CPU UTILIZATION IS 552.50%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0017431818
CHARGE-DIPOLE = 0.0009817246
CHARGE-QUADRUPOLE = 0.0002546236
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001432189
DIPOLE-QUADRUPOLE = 0.0000545879
QUADRUPOLE-QUADRUPOLE = 0.0000253372
OVERLAP PEN. ENERGY = -0.0000002432
--------------
ELECTROSTATIC ENERGY = 0.0032024307
REPULSION ENERGY = -0.0000098300
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001612205
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001209154
CHARGE TRANSFER ENRGY = -0.0000010052
--------------------------------------
FINAL EFP ENERGY = 0.0030303749
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg000
X Y Z (BOHR) CHARGE
-9.419876 -5.282664 -0.949563 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
6.191043 8.347937 3.982171 11.129904
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.440057 0.242677 -4.615149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.444725 15.980378 -13.231866 20.752169
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-3.989909 -2.519993 -2.782356 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.746317 24.328315 -9.249695 26.654154
cpu time efp_dimer (s)= 1.93 nproc= 8
energy of the separated dimer 19 15, L1= 780 is -4559.049723085
CPU 0: STEP CPU TIME= 2.82 TOTAL CPU TIME= 44004.4 ( 733.4 MIN)
TOTAL WALL CLOCK TIME= 7966.0 SECONDS, CPU UTILIZATION IS 552.40%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0020527187
CHARGE-DIPOLE = 0.0013700597
CHARGE-QUADRUPOLE = -0.0000730428
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002278808
DIPOLE-QUADRUPOLE = -0.0000235408
QUADRUPOLE-QUADRUPOLE = 0.0000027008
OVERLAP PEN. ENERGY = -0.0000000031
--------------
ELECTROSTATIC ENERGY = 0.0035567734
REPULSION ENERGY = -0.0000003052
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000963655
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000722741
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0034601027
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
-2.327374 0.888827 3.572995 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-14.861460 3.817987 4.303790 15.936205
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
6.131578 -5.314389 1.888818 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-7.234688 6.743147 -17.158282 19.804479
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
1.902102 -2.212781 2.730907 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-22.096149 10.561135 -12.854492 27.658910
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 103 17, L1= 780 is -4559.047351412
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 44004.5 ( 733.4 MIN)
TOTAL WALL CLOCK TIME= 7966.2 SECONDS, CPU UTILIZATION IS 552.39%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0025037026
CHARGE-DIPOLE = -0.0015481000
CHARGE-QUADRUPOLE = -0.0001621005
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0002335437
DIPOLE-QUADRUPOLE = -0.0000517211
QUADRUPOLE-QUADRUPOLE = -0.0000237083
OVERLAP PEN. ENERGY = -0.0000170221
--------------
ELECTROSTATIC ENERGY = -0.0045398984
REPULSION ENERGY = -0.0002097451
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0003395175
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0002546381
CHARGE TRANSFER ENRGY = -0.0000046700
--------------------------------------
FINAL EFP ENERGY = -0.0050938310
----------------------------------------
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)
-9.216390 -4.121645 2.372809 10.371114
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.771597 0.897440 -5.416300 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-0.966878 -3.149170 -3.908424 5.111546
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.497764 1.702318 -0.821361 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-10.183268 -7.270814 -1.535616 12.606419
cpu time efp_dimer (s)= 1.97 nproc= 8
energy of the separated dimer 102 95, L1= 780 is -4559.056471849
CPU 0: STEP CPU TIME= 2.92 TOTAL CPU TIME= 44007.4 ( 733.5 MIN)
TOTAL WALL CLOCK TIME= 7968.2 SECONDS, CPU UTILIZATION IS 552.29%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0002237417
CHARGE-DIPOLE = 0.0001871622
CHARGE-QUADRUPOLE = -0.0001063812
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000431682
DIPOLE-QUADRUPOLE = -0.0000562351
QUADRUPOLE-QUADRUPOLE = 0.0000212314
OVERLAP PEN. ENERGY = -0.0000001437
--------------
ELECTROSTATIC ENERGY = 0.0003125436
REPULSION ENERGY = -0.0000068008
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001895096
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001421322
CHARGE TRANSFER ENRGY = -0.0000005583
--------------------------------------
FINAL EFP ENERGY = 0.0001156749
----------------------------------------
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)
-0.166661 3.227865 -4.748240 5.743924
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-3.839858 6.778210 6.140293 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.143802 5.539506 -5.656170 8.202089
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-1.682151 2.462974 2.911885 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.310463 8.767370 -10.404410 13.800607
cpu time efp_dimer (s)= 1.95 nproc= 8
energy of the separated dimer 71 59, L1= 780 is -4559.046054800
CPU 0: STEP CPU TIME= 2.87 TOTAL CPU TIME= 44010.3 ( 733.5 MIN)
TOTAL WALL CLOCK TIME= 7970.2 SECONDS, CPU UTILIZATION IS 552.19%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = -0.0020058537
CHARGE-DIPOLE = -0.0012399365
CHARGE-QUADRUPOLE = -0.0002463945
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = -0.0001837094
DIPOLE-QUADRUPOLE = -0.0000991050
QUADRUPOLE-QUADRUPOLE = 0.0000133869
OVERLAP PEN. ENERGY = -0.0000101294
--------------
ELECTROSTATIC ENERGY = -0.0037717416
REPULSION ENERGY = -0.0001314594
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001681362
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001261021
CHARGE TRANSFER ENRGY = -0.0000134149
--------------------------------------
FINAL EFP ENERGY = -0.0040847520
----------------------------------------
EFFECTIVE FRAGMENT ELECTROSTATIC MOMENTS
----------------------------------------
FRAGMENT 1 frg001
X Y Z (BOHR) CHARGE
5.512111 3.331625 -7.121855 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
18.937224 -5.732324 4.153837 20.217131
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-4.319815 -2.589453 1.635054 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
8.015144 1.414588 -1.079679 8.210316
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.596148 0.371086 -2.743401 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
26.952368 -4.317736 3.074158 27.468590
cpu time efp_dimer (s)= 1.96 nproc= 8
energy of the separated dimer 139 43, L1= 780 is -4559.064640030
CPU 0: STEP CPU TIME= 2.89 TOTAL CPU TIME= 44013.2 ( 733.6 MIN)
TOTAL WALL CLOCK TIME= 7972.2 SECONDS, CPU UTILIZATION IS 552.09%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0019319260
CHARGE-DIPOLE = 0.0012360470
CHARGE-QUADRUPOLE = 0.0000358949
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001991626
DIPOLE-QUADRUPOLE = 0.0000051194
QUADRUPOLE-QUADRUPOLE = 0.0000068643
OVERLAP PEN. ENERGY = -0.0000000118
--------------
ELECTROSTATIC ENERGY = 0.0034150024
REPULSION ENERGY = -0.0000005832
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000685987
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000514490
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0033458206
----------------------------------------
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)
-0.395122 -4.934632 1.878250 5.294765
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
2.607809 9.046029 -0.694010 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.327895 -7.521232 -4.822129 9.232603
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.245718 7.855723 -3.482095 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-2.723016 -12.455864 -2.943879 13.085480
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 135 125, L1= 780 is -4559.023010686
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 44013.3 ( 733.6 MIN)
TOTAL WALL CLOCK TIME= 7972.3 SECONDS, CPU UTILIZATION IS 552.08%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0009085239
CHARGE-DIPOLE = 0.0007804060
CHARGE-QUADRUPOLE = -0.0003682108
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001572593
DIPOLE-QUADRUPOLE = -0.0001218858
QUADRUPOLE-QUADRUPOLE = 0.0000056337
OVERLAP PEN. ENERGY = -0.0000001020
--------------
ELECTROSTATIC ENERGY = 0.0013616243
REPULSION ENERGY = -0.0000046256
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001113450
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000835087
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0012456538
----------------------------------------
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)
-0.395122 -4.934632 1.878250 5.294765
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
3.992416 1.333897 2.698430 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.687495 -9.581339 8.117533 12.842080
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
4.938022 3.999657 -1.785875 -0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
2.292373 -14.515970 9.995783 17.773127
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 135 119, L1= 780 is -4559.053375724
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 44013.4 ( 733.6 MIN)
TOTAL WALL CLOCK TIME= 7972.4 SECONDS, CPU UTILIZATION IS 552.07%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0014746120
CHARGE-DIPOLE = 0.0008456067
CHARGE-QUADRUPOLE = -0.0000048111
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001269498
DIPOLE-QUADRUPOLE = -0.0000364636
QUADRUPOLE-QUADRUPOLE = 0.0000345714
OVERLAP PEN. ENERGY = -0.0000013860
--------------
ELECTROSTATIC ENERGY = 0.0024390792
REPULSION ENERGY = -0.0000783913
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0002393093
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001794820
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0021213786
----------------------------------------
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)
4.479379 14.391232 -11.564517 18.997643
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-0.697055 -0.959175 -2.153788 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
7.013990 -1.817845 16.271423 17.811789
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-0.393025 1.732378 -1.053554 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
11.493369 12.573386 4.706906 17.673215
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 96 45, L1= 780 is -4559.001907137
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 44013.5 ( 733.6 MIN)
TOTAL WALL CLOCK TIME= 7972.5 SECONDS, CPU UTILIZATION IS 552.07%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0030797369
CHARGE-DIPOLE = 0.0021521961
CHARGE-QUADRUPOLE = -0.0003294935
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0003514310
DIPOLE-QUADRUPOLE = -0.0000199326
QUADRUPOLE-QUADRUPOLE = -0.0000815200
OVERLAP PEN. ENERGY = -0.0000065812
--------------
ELECTROSTATIC ENERGY = 0.0051458367
REPULSION ENERGY = -0.0001358113
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0004049552
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0003037164
CHARGE TRANSFER ENRGY = -0.0000135650
--------------------------------------
FINAL EFP ENERGY = 0.0045915052
----------------------------------------
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)
-0.395122 -4.934632 1.878250 5.294765
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
1.293073 1.884421 0.554097 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.895587 14.142427 -2.237360 19.952477
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
3.588350 4.274919 -2.858041 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
13.500465 9.207796 -0.359110 16.345489
cpu time efp_dimer (s)= 1.99 nproc= 8
energy of the separated dimer 135 76, L1= 780 is -4559.047253956
CPU 0: STEP CPU TIME= 2.97 TOTAL CPU TIME= 44016.4 ( 733.6 MIN)
TOTAL WALL CLOCK TIME= 7974.5 SECONDS, CPU UTILIZATION IS 551.97%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0021658674
CHARGE-DIPOLE = 0.0012505347
CHARGE-QUADRUPOLE = 0.0002139884
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0001794091
DIPOLE-QUADRUPOLE = 0.0000618844
QUADRUPOLE-QUADRUPOLE = 0.0000075487
OVERLAP PEN. ENERGY = -0.0000000001
--------------
ELECTROSTATIC ENERGY = 0.0038792326
REPULSION ENERGY = -0.0000000120
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0000625153
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0000468864
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0038167054
----------------------------------------
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)
11.351369 3.195597 -5.153993 12.869695
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
-1.249873 3.545646 -4.689094 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
3.655631 2.957769 2.856835 5.502139
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
-5.165248 -0.216695 1.532411 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
15.006999 6.153366 -2.297159 16.381419
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 93 80, L1= 780 is -4559.040892193
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 44016.5 ( 733.6 MIN)
TOTAL WALL CLOCK TIME= 7974.6 SECONDS, CPU UTILIZATION IS 551.96%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0005208360
CHARGE-DIPOLE = 0.0003810925
CHARGE-QUADRUPOLE = -0.0000337536
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0000639757
DIPOLE-QUADRUPOLE = 0.0000032187
QUADRUPOLE-QUADRUPOLE = -0.0000081109
OVERLAP PEN. ENERGY = -0.0000000912
--------------
ELECTROSTATIC ENERGY = 0.0009271671
REPULSION ENERGY = -0.0000053709
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0001401814
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0001051360
CHARGE TRANSFER ENRGY = 0.0000000000
--------------------------------------
FINAL EFP ENERGY = 0.0007816148
----------------------------------------
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)
-3.699735 -8.402332 -18.931690 21.040344
FRAGMENT 2 frg000
X Y Z (BOHR) CHARGE
2.174656 3.608286 -2.562328 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
9.629370 -14.411196 -12.478959 21.357241
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
0.499284 1.619295 2.805549 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
5.929636 -22.813528 -31.410649 39.271446
cpu time efp_dimer (s)= 0.07 nproc= 8
energy of the separated dimer 66 49, L1= 780 is -4559.034007805
CPU 0: STEP CPU TIME= 0.09 TOTAL CPU TIME= 44016.6 ( 733.6 MIN)
TOTAL WALL CLOCK TIME= 7974.7 SECONDS, CPU UTILIZATION IS 551.95%
--------------------------------------
FRAGMENT-FRAGMENT INTERACTION ENERGIES
--------------------------------------
CHARGE-CHARGE = 0.0022060321
CHARGE-DIPOLE = 0.0014131704
CHARGE-QUADRUPOLE = 0.0000298314
CHARGE-OCTUPOLE = 0.0000000000
DIPOLE-DIPOLE = 0.0002199364
DIPOLE-QUADRUPOLE = 0.0000300513
QUADRUPOLE-QUADRUPOLE = -0.0000131519
OVERLAP PEN. ENERGY = -0.0000341861
--------------
ELECTROSTATIC ENERGY = 0.0038516836
REPULSION ENERGY = -0.0005338790
POLARIZATION ENERGY = 0.0000000000
TOTAL DISPERSION ENERGY(E6+E7+E8) = -0.0004122848
E7 DISPERSION ENERGY = 0.0000000000
E6 DISPERSION ENERGY = -0.0003092136
CHARGE TRANSFER ENRGY = -0.0000056170
--------------------------------------
FINAL EFP ENERGY = 0.0028999028
----------------------------------------
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)
1.036003 -10.929597 -6.013189 12.517501
FRAGMENT 2 frg001
X Y Z (BOHR) CHARGE
6.383819 -6.190859 -0.270149 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.219050 -4.675490 -12.215286 14.482748
----------------------------
SYSTEM ELECTROSTATIC MOMENTS
----------------------------
CENTER X Y Z (BOHR) CHARGE
5.940582 -4.892736 -3.280081 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-5.183047 -15.605087 -18.228475 24.549135
cpu time efp_dimer (s)= 1.93 nproc= 8
energy of the separated dimer 131 100, L1= 780 is -4559.043511816
CPU 0: STEP CPU TIME= 2.82 TOTAL CPU TIME= 44019.4 ( 733.7 MIN)
TOTAL WALL CLOCK TIME= 7976.7 SECONDS, CPU UTILIZATION IS 551.85%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 44019.4 ( 733.7 MIN)
TOTAL WALL CLOCK TIME= 7976.7 SECONDS, CPU UTILIZATION IS 551.85%
Dimer synchronisation for layer 1 took 25.9 s.
CPU 0: STEP CPU TIME= 10.80 TOTAL CPU TIME= 44030.2 ( 733.8 MIN)
TOTAL WALL CLOCK TIME= 8002.6 SECONDS, CPU UTILIZATION IS 550.20%
Tim2: IJ 7347.15 lump 25.94 DFTBg 0.00 PCM 0.00 SCZV 0.00 total 7373.09
Data exchange of 100054 words took 0.0 s.
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 44030.2 ( 733.8 MIN)
TOTAL WALL CLOCK TIME= 8002.6 SECONDS, CPU UTILIZATION IS 550.20%
FMO properties
###############
Layer 1 converged in 1 iterations (max 30, conv .10E-06).
Nuclear repulsion energy: 16574611.063802041
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) -6410.111218787 -6405.259372888 -15.78277 23.41366 -1.47284
2(MSN2 ,L1) -5232.259584559 -5228.316004284 40.72390 -29.62838 -20.35902
3(MSN3 ,L1) -6030.811951862 -6026.485936115 -24.39756 21.38902 19.61546
4(MSN4 ,L1) -6252.179119301 -6247.690443358 13.09574 -18.38099 16.21003
5(MSN5 ,L1) -7053.541390385 -7048.107737909 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)= -380864.957592864
Total energy of the molecule: Euncorr(1)= -380254.638406409
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 -11993.156711099 -11984.185005099-350.78590775-350.60962793 0.03462688 0.000 0.000
3 1 C1 0 0.80 0.0000 -12440.909596748 -12431.717599868 0.01357390 0.02770914 0.00486765 0.000 8.518
3 2 C1 0 0.00 0.0000 -11614.421231564 -11605.970773524-351.34969514-351.16883313 0.02860008 0.000 0.000
4 1 S1 0 2.32 0.0000 -12652.931353712 -12652.931134818 0.01846253 0.01868143 0.00000000 0.000 11.585
4 2 S1 0 1.23 0.0000 -11476.015651096 -11476.013831929 -0.00920345 -0.00738429 0.00000000 0.000 -5.775
4 3 C1 0 0.00 0.0000 -12633.729849554 -12624.742832620-350.73877839-350.56645315 0.03637290 0.000 0.000
5 1 S1 0 2.90 0.0000 -13453.350227297 -13453.350149946 0.01688350 0.01696085 0.00000000 0.000 10.595
5 2 S1 0 2.01 0.0000 -12276.410777308 -12276.410541346 0.01296488 0.01320085 0.00000000 0.000 8.136
5 3 S1 0 1.19 0.0000 -13074.549126945 -13074.547532263 0.04454708 0.04614176 0.00000000 0.000 27.954
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150 29 C1 0 0.81 0.0000 -4566.692525011 -4559.024762403 0.02870161 0.03013392 0.00025269 0.000 18.011
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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 S1 0 1.35 0.0000 -5090.952572464 -5090.952368888 0.00300815 0.00321173 0.00000000 0.000 1.888
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 S1 0 1.63 0.0000 -5090.958161284 -5090.958030883 -0.00375242 -0.00362202 0.00000000 0.000 -2.355
158 93 S1 0 1.03 0.0000 -5090.951662669 -5090.951322558 -0.00296186 -0.00262175 0.00000000 0.000 -1.859
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 S1 0 1.31 0.0000 -5090.911126821 -5090.910915677 -0.00474028 -0.00452913 0.00000000 0.000 -2.975
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 S1 0 1.47 0.0000 -5090.930127397 -5090.929928789 0.00209276 0.00229137 0.00000000 0.000 1.313
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 S1 0 1.03 0.0000 -5090.951770728 -5090.951314329 0.00095142 0.00140782 0.00000000 0.000 0.597
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 S1 0 1.05 0.0000 -5090.969543765 -5090.969134932 -0.00308612 -0.00267729 0.00000000 0.000 -1.937
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 0.03374658 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 -5090.911852042 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 S1 0 1.86 0.0000 -5090.957674737 -5090.957595013 -0.00269873 -0.00261901 0.00000000 0.000 -1.693
158 135 C1 0 0.85 0.0000 -5099.511999850 -5090.948881093 0.00021621 0.00332264 0.00053748 0.000 0.136
158 136 S1 0 1.35 0.0000 -5090.964206642 -5090.964011144 -0.00394330 -0.00374780 0.00000000 0.000 -2.474
158 137 S1 0 1.60 0.0000 -5090.947689280 -5090.947603569 -0.00102010 -0.00093439 0.00000000 0.000 -0.640
158 138 S1 0 1.13 0.0000 -5090.941541898 -5090.941371013 -0.00186069 -0.00168981 0.00000000 0.000 -1.168
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 S1 0 1.30 0.0000 -5090.955592553 -5090.955365894 0.00039835 0.00062501 0.00000000 0.000 0.250
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 S1 0 1.02 0.0000 -5090.963289819 -5090.962846966 -0.00526898 -0.00482613 0.00000000 0.000 -3.306
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 S1 0 1.63 0.0000 -5090.937916295 -5090.937824005 -0.00460306 -0.00451077 0.00000000 0.000 -2.888
158 155 C1 0 0.85 0.0000 -5099.501180665 -5090.936434872 -0.01157817 -0.00848303 0.00065498 0.000 -7.265
158 156 S1 0 1.66 0.0000 -5090.955164609 -5090.955061782 -0.00020089 -0.00009807 0.00000000 0.000 -0.126
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)= -382235.178290952
Total energy of the molecule: Etotpol(2)= -3.851018366
Total energy of the molecule: Euncorr(2)= -381597.583818113
Total energy of the molecule: Edelta (2)= -637.594472840
The backbone energy EBBcorr (2)= -382268.561451073
The backbone energy EBBuncorr(2)= -381657.544917717
Dipole moment D(xyz),DA(2)= 196.4914283 -53.9918782 151.0125365 253.6312096
ONE ELECTRON ENERGY = -35553489.2881815284
TWO ELECTRON ENERGY = 18596643.0460885316
NUCLEAR REPULSION ENERGY = 16574611.0638020411
-----------------------
TOTAL ENERGY = -382235.1782909523
ELECTRON-ELECTRON POTENTIAL ENERGY = 18596643.0460885316
NUCLEUS-ELECTRON POTENTIAL ENERGY = -35935684.5634096563
NUCLEUS-NUCLEUS POTENTIAL ENERGY = 16574611.0638020411
-----------------------
TOTAL POTENTIAL ENERGY = -764430.4535190836
TOTAL KINETIC ENERGY = 382195.2752281241
VIRIAL RATIO (V/T) = 2.0001044049
The best FMO energy is -382235.178290952
Done with FMO properties.
CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 44030.3 ( 733.8 MIN)
TOTAL WALL CLOCK TIME= 8002.7 SECONDS, CPU UTILIZATION IS 550.20%
CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 44030.3 ( 733.8 MIN)
TOTAL WALL CLOCK TIME= 8002.7 SECONDS, CPU UTILIZATION IS 550.20%
Tim: ini 0.32 mon 622.29 dim 7379.05 trim 0.00 prp 0.04 total 8001.71
Total timing statistics in pairs (CPU,wall) for each rank, sec
Rank total SCF corr DFT CPHF EFP solv ESP geom
-------------------------------------------------------------------------------
1 44030.3 4517.9 36928.0 0.0 0.0 0.0 0.0 0.0 0.0
1 8002.7 887.1 6449.1 0.0 0.0 0.0 0.0 0.0 0.0
2 43710.6 4526.9 36577.8 0.0 0.0 0.0 0.0 0.0 0.0
2 8002.7 888.3 6449.6 0.0 0.0 0.0 0.0 0.0 0.0
3 44055.7 4527.3 36923.2 0.0 0.0 0.0 0.0 0.0 0.0
3 8002.7 888.3 6449.7 0.0 0.0 0.0 0.0 0.0 0.0
4 44072.4 4526.4 36940.3 0.0 0.0 0.0 0.0 0.0 0.0
4 8002.7 888.4 6449.6 0.0 0.0 0.0 0.0 0.0 0.0
5 43847.3 4527.7 36721.0 0.0 0.0 0.0 0.0 0.0 0.0
5 8002.7 888.3 6449.7 0.0 0.0 0.0 0.0 0.0 0.0
6 43780.9 4525.8 36650.3 0.0 0.0 0.0 0.0 0.0 0.0
6 8002.7 888.3 6449.6 0.0 0.0 0.0 0.0 0.0 0.0
7 44284.0 4527.5 37123.3 0.0 0.0 0.0 0.0 0.0 0.0
7 8002.7 888.3 6449.6 0.0 0.0 0.0 0.0 0.0 0.0
8 42952.6 4527.6 35819.6 0.0 0.0 0.0 0.0 0.0 0.0
8 8002.7 888.3 6449.6 0.0 0.0 0.0 0.0 0.0 0.0
9 41899.6 4445.2 37148.8 0.0 0.0 0.0 0.0 0.0 0.0
9 8003.0 874.7 6474.4 0.0 0.0 0.0 0.0 0.0 0.0
10 41719.9 4454.3 36791.3 0.0 0.0 0.0 0.0 0.0 0.0
10 8003.0 875.7 6474.8 0.0 0.0 0.0 0.0 0.0 0.0
11 41705.1 4454.6 36783.2 0.0 0.0 0.0 0.0 0.0 0.0
11 8003.0 875.7 6474.8 0.0 0.0 0.0 0.0 0.0 0.0
12 41969.3 4454.8 37037.0 0.0 0.0 0.0 0.0 0.0 0.0
12 8003.0 875.7 6474.8 0.0 0.0 0.0 0.0 0.0 0.0
13 41722.0 4456.0 36790.0 0.0 0.0 0.0 0.0 0.0 0.0
13 8003.0 875.7 6474.8 0.0 0.0 0.0 0.0 0.0 0.0
14 41586.5 4454.1 36655.3 0.0 0.0 0.0 0.0 0.0 0.0
14 8003.0 875.8 6474.8 0.0 0.0 0.0 0.0 0.0 0.0
15 42183.3 4455.4 37210.4 0.0 0.0 0.0 0.0 0.0 0.0
15 8003.0 875.7 6474.8 0.0 0.0 0.0 0.0 0.0 0.0
16 40833.6 4454.9 35903.3 0.0 0.0 0.0 0.0 0.0 0.0
16 8003.0 875.7 6474.8 0.0 0.0 0.0 0.0 0.0 0.0
17 41814.6 4388.7 37100.1 0.0 0.0 0.0 0.0 0.0 0.0
17 8002.9 867.2 6492.6 0.0 0.0 0.0 0.0 0.0 0.0
18 41651.3 4397.3 36765.4 0.0 0.0 0.0 0.0 0.0 0.0
18 8002.9 868.6 6493.1 0.0 0.0 0.0 0.0 0.0 0.0
19 41743.4 4398.5 36855.3 0.0 0.0 0.0 0.0 0.0 0.0
19 8002.9 868.5 6493.1 0.0 0.0 0.0 0.0 0.0 0.0
20 42121.5 4398.4 37221.5 0.0 0.0 0.0 0.0 0.0 0.0
20 8002.9 868.5 6493.1 0.0 0.0 0.0 0.0 0.0 0.0
21 41586.0 4400.6 36696.2 0.0 0.0 0.0 0.0 0.0 0.0
21 8002.9 868.6 6493.1 0.0 0.0 0.0 0.0 0.0 0.0
22 41584.1 4397.2 36697.6 0.0 0.0 0.0 0.0 0.0 0.0
22 8002.9 868.6 6493.1 0.0 0.0 0.0 0.0 0.0 0.0
23 42165.5 4398.9 37247.6 0.0 0.0 0.0 0.0 0.0 0.0
23 8002.9 868.6 6493.1 0.0 0.0 0.0 0.0 0.0 0.0
24 41034.9 4398.2 36151.6 0.0 0.0 0.0 0.0 0.0 0.0
24 8002.9 868.6 6493.1 0.0 0.0 0.0 0.0 0.0 0.0
25 41483.8 4369.6 36690.6 0.0 0.0 0.0 0.0 0.0 0.0
25 8002.7 860.1 6411.8 0.0 0.0 0.0 0.0 0.0 0.0
26 41282.7 4378.7 36378.5 0.0 0.0 0.0 0.0 0.0 0.0
26 8002.7 861.3 6412.3 0.0 0.0 0.0 0.0 0.0 0.0
27 41390.6 4378.8 36484.4 0.0 0.0 0.0 0.0 0.0 0.0
27 8002.7 861.3 6412.3 0.0 0.0 0.0 0.0 0.0 0.0
28 41587.1 4378.1 36676.2 0.0 0.0 0.0 0.0 0.0 0.0
28 8002.7 861.3 6412.3 0.0 0.0 0.0 0.0 0.0 0.0
29 41288.4 4380.6 36377.7 0.0 0.0 0.0 0.0 0.0 0.0
29 8002.7 861.3 6412.3 0.0 0.0 0.0 0.0 0.0 0.0
30 41233.6 4378.1 36328.1 0.0 0.0 0.0 0.0 0.0 0.0
30 8002.7 861.3 6412.3 0.0 0.0 0.0 0.0 0.0 0.0
31 41746.6 4379.0 36806.1 0.0 0.0 0.0 0.0 0.0 0.0
31 8002.7 861.2 6412.3 0.0 0.0 0.0 0.0 0.0 0.0
32 40461.0 4378.5 35554.7 0.0 0.0 0.0 0.0 0.0 0.0
32 8002.7 861.3 6412.3 0.0 0.0 0.0 0.0 0.0 0.0
33 41492.5 4387.2 36746.5 0.0 0.0 0.0 0.0 0.0 0.0
33 8002.6 866.9 6440.0 0.0 0.0 0.0 0.0 0.0 0.0
34 41351.9 4395.9 36450.7 0.0 0.0 0.0 0.0 0.0 0.0
34 8002.6 868.5 6440.5 0.0 0.0 0.0 0.0 0.0 0.0
35 41380.6 4396.9 36479.7 0.0 0.0 0.0 0.0 0.0 0.0
35 8002.6 868.5 6440.5 0.0 0.0 0.0 0.0 0.0 0.0
36 41570.4 4395.9 36663.4 0.0 0.0 0.0 0.0 0.0 0.0
36 8002.6 868.5 6440.5 0.0 0.0 0.0 0.0 0.0 0.0
37 41320.8 4398.3 36420.6 0.0 0.0 0.0 0.0 0.0 0.0
37 8002.6 868.5 6440.5 0.0 0.0 0.0 0.0 0.0 0.0
38 41156.3 4395.9 36258.4 0.0 0.0 0.0 0.0 0.0 0.0
38 8002.6 868.5 6440.4 0.0 0.0 0.0 0.0 0.0 0.0
39 41762.1 4397.6 36828.8 0.0 0.0 0.0 0.0 0.0 0.0
39 8002.6 868.4 6440.4 0.0 0.0 0.0 0.0 0.0 0.0
40 40391.0 4396.8 35491.4 0.0 0.0 0.0 0.0 0.0 0.0
40 8002.6 868.5 6440.4 0.0 0.0 0.0 0.0 0.0 0.0
41 41699.3 4339.7 36991.5 0.0 0.0 0.0 0.0 0.0 0.0
41 8002.6 855.6 6444.8 0.0 0.0 0.0 0.0 0.0 0.0
42 41499.7 4348.1 36645.0 0.0 0.0 0.0 0.0 0.0 0.0
42 8002.6 857.1 6445.3 0.0 0.0 0.0 0.0 0.0 0.0
43 41569.0 4348.4 36713.8 0.0 0.0 0.0 0.0 0.0 0.0
43 8002.6 857.0 6445.3 0.0 0.0 0.0 0.0 0.0 0.0
44 41800.4 4348.3 36936.5 0.0 0.0 0.0 0.0 0.0 0.0
44 8002.6 857.1 6445.3 0.0 0.0 0.0 0.0 0.0 0.0
45 41396.2 4349.7 36537.5 0.0 0.0 0.0 0.0 0.0 0.0
45 8002.6 857.0 6445.3 0.0 0.0 0.0 0.0 0.0 0.0
46 41348.8 4347.4 36493.6 0.0 0.0 0.0 0.0 0.0 0.0
46 8002.6 857.0 6445.3 0.0 0.0 0.0 0.0 0.0 0.0
47 41922.1 4349.4 37020.3 0.0 0.0 0.0 0.0 0.0 0.0
47 8002.6 857.1 6445.3 0.0 0.0 0.0 0.0 0.0 0.0
48 40612.7 4348.7 35758.7 0.0 0.0 0.0 0.0 0.0 0.0
48 8002.6 857.0 6445.3 0.0 0.0 0.0 0.0 0.0 0.0
49 41809.3 4416.4 37096.1 0.0 0.0 0.0 0.0 0.0 0.0
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908 41807.5 4509.7 36792.4 0.0 0.0 0.0 0.0 0.0 0.0
908 8002.9 885.9 6441.0 0.0 0.0 0.0 0.0 0.0 0.0
909 41464.4 4511.8 36458.8 0.0 0.0 0.0 0.0 0.0 0.0
909 8002.9 885.9 6441.0 0.0 0.0 0.0 0.0 0.0 0.0
910 41361.8 4509.2 36359.5 0.0 0.0 0.0 0.0 0.0 0.0
910 8002.9 885.8 6441.0 0.0 0.0 0.0 0.0 0.0 0.0
911 41887.0 4510.7 36849.3 0.0 0.0 0.0 0.0 0.0 0.0
911 8002.9 885.9 6441.0 0.0 0.0 0.0 0.0 0.0 0.0
912 40729.5 4510.3 35726.6 0.0 0.0 0.0 0.0 0.0 0.0
912 8002.9 885.9 6441.0 0.0 0.0 0.0 0.0 0.0 0.0
913 41671.7 4448.4 36917.8 0.0 0.0 0.0 0.0 0.0 0.0
913 8003.0 879.0 6468.1 0.0 0.0 0.0 0.0 0.0 0.0
914 41451.7 4457.5 36517.7 0.0 0.0 0.0 0.0 0.0 0.0
914 8003.0 880.6 6468.6 0.0 0.0 0.0 0.0 0.0 0.0
915 41573.9 4458.1 36641.8 0.0 0.0 0.0 0.0 0.0 0.0
915 8003.0 880.6 6468.7 0.0 0.0 0.0 0.0 0.0 0.0
916 41801.3 4456.8 36869.3 0.0 0.0 0.0 0.0 0.0 0.0
916 8003.0 880.5 6468.6 0.0 0.0 0.0 0.0 0.0 0.0
917 41449.8 4459.3 36516.9 0.0 0.0 0.0 0.0 0.0 0.0
917 8003.0 880.7 6468.6 0.0 0.0 0.0 0.0 0.0 0.0
918 41320.7 4457.2 36389.8 0.0 0.0 0.0 0.0 0.0 0.0
918 8003.0 880.7 6468.6 0.0 0.0 0.0 0.0 0.0 0.0
919 42056.0 4458.5 37090.9 0.0 0.0 0.0 0.0 0.0 0.0
919 8003.0 880.7 6468.6 0.0 0.0 0.0 0.0 0.0 0.0
920 40648.8 4458.2 35716.9 0.0 0.0 0.0 0.0 0.0 0.0
920 8003.0 880.7 6468.6 0.0 0.0 0.0 0.0 0.0 0.0
921 41755.3 4374.6 37010.3 0.0 0.0 0.0 0.0 0.0 0.0
921 8002.9 857.9 6446.9 0.0 0.0 0.0 0.0 0.0 0.0
922 41625.1 4383.1 36736.3 0.0 0.0 0.0 0.0 0.0 0.0
922 8002.9 859.0 6447.4 0.0 0.0 0.0 0.0 0.0 0.0
923 41637.3 4383.4 36748.9 0.0 0.0 0.0 0.0 0.0 0.0
923 8002.9 859.0 6447.4 0.0 0.0 0.0 0.0 0.0 0.0
924 41877.7 4383.2 36980.5 0.0 0.0 0.0 0.0 0.0 0.0
924 8002.9 859.0 6447.4 0.0 0.0 0.0 0.0 0.0 0.0
925 41471.1 4385.5 36581.9 0.0 0.0 0.0 0.0 0.0 0.0
925 8002.9 859.0 6447.4 0.0 0.0 0.0 0.0 0.0 0.0
926 41521.0 4383.1 36630.6 0.0 0.0 0.0 0.0 0.0 0.0
926 8002.9 859.0 6447.4 0.0 0.0 0.0 0.0 0.0 0.0
927 41949.1 4384.2 37025.3 0.0 0.0 0.0 0.0 0.0 0.0
927 8002.9 859.0 6447.4 0.0 0.0 0.0 0.0 0.0 0.0
928 40839.6 4383.8 35950.8 0.0 0.0 0.0 0.0 0.0 0.0
928 8002.9 859.0 6447.4 0.0 0.0 0.0 0.0 0.0 0.0
929 41743.8 4458.5 36963.8 0.0 0.0 0.0 0.0 0.0 0.0
929 8003.0 878.9 6454.3 0.0 0.0 0.0 0.0 0.0 0.0
930 41534.4 4467.7 36579.8 0.0 0.0 0.0 0.0 0.0 0.0
930 8003.0 880.5 6454.8 0.0 0.0 0.0 0.0 0.0 0.0
931 41489.0 4468.4 36533.4 0.0 0.0 0.0 0.0 0.0 0.0
931 8003.0 880.4 6454.8 0.0 0.0 0.0 0.0 0.0 0.0
932 41754.4 4468.4 36798.7 0.0 0.0 0.0 0.0 0.0 0.0
932 8003.0 880.5 6454.8 0.0 0.0 0.0 0.0 0.0 0.0
933 41458.4 4470.5 36503.0 0.0 0.0 0.0 0.0 0.0 0.0
933 8003.0 880.5 6454.8 0.0 0.0 0.0 0.0 0.0 0.0
934 41342.8 4467.6 36388.8 0.0 0.0 0.0 0.0 0.0 0.0
934 8003.0 880.5 6454.8 0.0 0.0 0.0 0.0 0.0 0.0
935 42099.7 4469.2 37104.0 0.0 0.0 0.0 0.0 0.0 0.0
935 8003.0 880.5 6454.8 0.0 0.0 0.0 0.0 0.0 0.0
936 40700.1 4468.3 35746.1 0.0 0.0 0.0 0.0 0.0 0.0
936 8003.0 880.5 6454.8 0.0 0.0 0.0 0.0 0.0 0.0
937 41790.7 4387.7 37045.7 0.0 0.0 0.0 0.0 0.0 0.0
937 8002.9 865.3 6468.5 0.0 0.0 0.0 0.0 0.0 0.0
938 41395.6 4396.7 36490.9 0.0 0.0 0.0 0.0 0.0 0.0
938 8002.9 866.5 6469.0 0.0 0.0 0.0 0.0 0.0 0.0
939 41591.2 4397.3 36686.7 0.0 0.0 0.0 0.0 0.0 0.0
939 8002.9 866.5 6469.0 0.0 0.0 0.0 0.0 0.0 0.0
940 41793.1 4396.5 36883.0 0.0 0.0 0.0 0.0 0.0 0.0
940 8002.9 866.5 6469.0 0.0 0.0 0.0 0.0 0.0 0.0
941 41509.6 4399.2 36601.1 0.0 0.0 0.0 0.0 0.0 0.0
941 8002.9 866.5 6469.0 0.0 0.0 0.0 0.0 0.0 0.0
942 41326.8 4396.1 36423.6 0.0 0.0 0.0 0.0 0.0 0.0
942 8002.9 866.5 6469.0 0.0 0.0 0.0 0.0 0.0 0.0
943 42011.2 4397.9 37073.3 0.0 0.0 0.0 0.0 0.0 0.0
943 8002.9 866.5 6469.0 0.0 0.0 0.0 0.0 0.0 0.0
944 40712.8 4397.2 35809.3 0.0 0.0 0.0 0.0 0.0 0.0
944 8002.9 866.5 6469.0 0.0 0.0 0.0 0.0 0.0 0.0
945 41747.2 4433.0 36961.3 0.0 0.0 0.0 0.0 0.0 0.0
945 8002.9 871.2 6440.2 0.0 0.0 0.0 0.0 0.0 0.0
946 41686.5 4441.9 36743.2 0.0 0.0 0.0 0.0 0.0 0.0
946 8002.9 872.4 6440.7 0.0 0.0 0.0 0.0 0.0 0.0
947 41759.3 4443.3 36809.9 0.0 0.0 0.0 0.0 0.0 0.0
947 8002.9 872.4 6440.7 0.0 0.0 0.0 0.0 0.0 0.0
948 41810.0 4442.3 36865.4 0.0 0.0 0.0 0.0 0.0 0.0
948 8002.9 872.3 6440.7 0.0 0.0 0.0 0.0 0.0 0.0
949 41549.6 4444.6 36602.4 0.0 0.0 0.0 0.0 0.0 0.0
949 8002.9 872.4 6440.7 0.0 0.0 0.0 0.0 0.0 0.0
950 41490.4 4441.9 36546.6 0.0 0.0 0.0 0.0 0.0 0.0
950 8002.9 872.4 6440.6 0.0 0.0 0.0 0.0 0.0 0.0
951 41996.4 4442.6 37016.5 0.0 0.0 0.0 0.0 0.0 0.0
951 8002.9 872.4 6440.6 0.0 0.0 0.0 0.0 0.0 0.0
952 40691.7 4442.0 35752.3 0.0 0.0 0.0 0.0 0.0 0.0
952 8002.9 872.4 6440.6 0.0 0.0 0.0 0.0 0.0 0.0
953 41406.7 4369.9 36585.4 0.0 0.0 0.0 0.0 0.0 0.0
953 8002.7 863.3 6410.5 0.0 0.0 0.0 0.0 0.0 0.0
954 41080.1 4379.0 36153.3 0.0 0.0 0.0 0.0 0.0 0.0
954 8002.7 864.4 6411.0 0.0 0.0 0.0 0.0 0.0 0.0
955 41284.6 4379.9 36354.9 0.0 0.0 0.0 0.0 0.0 0.0
955 8002.7 864.4 6411.0 0.0 0.0 0.0 0.0 0.0 0.0
956 41433.6 4379.3 36500.7 0.0 0.0 0.0 0.0 0.0 0.0
956 8002.7 864.5 6411.0 0.0 0.0 0.0 0.0 0.0 0.0
957 41249.1 4381.5 36320.0 0.0 0.0 0.0 0.0 0.0 0.0
957 8002.7 864.4 6411.0 0.0 0.0 0.0 0.0 0.0 0.0
958 40993.9 4378.7 36073.4 0.0 0.0 0.0 0.0 0.0 0.0
958 8002.7 864.4 6411.0 0.0 0.0 0.0 0.0 0.0 0.0
959 41690.8 4380.1 36728.1 0.0 0.0 0.0 0.0 0.0 0.0
959 8002.7 864.4 6411.0 0.0 0.0 0.0 0.0 0.0 0.0
960 40329.2 4379.5 35402.0 0.0 0.0 0.0 0.0 0.0 0.0
960 8002.7 864.5 6411.0 0.0 0.0 0.0 0.0 0.0 0.0
961 41696.5 4426.2 36890.8 0.0 0.0 0.0 0.0 0.0 0.0
961 8002.9 874.1 6439.7 0.0 0.0 0.0 0.0 0.0 0.0
962 41492.7 4435.7 36538.7 0.0 0.0 0.0 0.0 0.0 0.0
962 8002.9 875.7 6440.2 0.0 0.0 0.0 0.0 0.0 0.0
963 41474.8 4436.5 36518.7 0.0 0.0 0.0 0.0 0.0 0.0
963 8002.9 875.6 6440.2 0.0 0.0 0.0 0.0 0.0 0.0
964 41798.5 4435.6 36823.2 0.0 0.0 0.0 0.0 0.0 0.0
964 8002.9 875.8 6440.2 0.0 0.0 0.0 0.0 0.0 0.0
965 41448.1 4437.7 36490.4 0.0 0.0 0.0 0.0 0.0 0.0
965 8002.9 875.7 6440.2 0.0 0.0 0.0 0.0 0.0 0.0
966 41243.5 4434.9 36291.2 0.0 0.0 0.0 0.0 0.0 0.0
966 8002.9 875.7 6440.2 0.0 0.0 0.0 0.0 0.0 0.0
967 41920.2 4436.5 36935.1 0.0 0.0 0.0 0.0 0.0 0.0
967 8002.9 875.7 6440.2 0.0 0.0 0.0 0.0 0.0 0.0
968 40701.2 4436.1 35745.5 0.0 0.0 0.0 0.0 0.0 0.0
968 8002.9 875.7 6440.1 0.0 0.0 0.0 0.0 0.0 0.0
969 41963.8 4830.5 36810.9 0.0 0.0 0.0 0.0 0.0 0.0
969 8002.6 942.1 6425.4 0.0 0.0 0.0 0.0 0.0 0.0
970 41596.8 4839.1 36272.1 0.0 0.0 0.0 0.0 0.0 0.0
970 8002.6 943.5 6425.9 0.0 0.0 0.0 0.0 0.0 0.0
971 41763.9 4839.5 36439.2 0.0 0.0 0.0 0.0 0.0 0.0
971 8002.6 943.5 6425.9 0.0 0.0 0.0 0.0 0.0 0.0
972 41900.4 4838.6 36579.6 0.0 0.0 0.0 0.0 0.0 0.0
972 8002.6 943.4 6425.9 0.0 0.0 0.0 0.0 0.0 0.0
973 41673.4 4841.1 36347.8 0.0 0.0 0.0 0.0 0.0 0.0
973 8002.6 943.5 6425.9 0.0 0.0 0.0 0.0 0.0 0.0
974 41574.6 4838.1 36251.2 0.0 0.0 0.0 0.0 0.0 0.0
974 8002.6 943.5 6425.9 0.0 0.0 0.0 0.0 0.0 0.0
975 42204.4 4839.5 36843.2 0.0 0.0 0.0 0.0 0.0 0.0
975 8002.6 943.4 6425.9 0.0 0.0 0.0 0.0 0.0 0.0
976 40938.3 4839.1 35616.8 0.0 0.0 0.0 0.0 0.0 0.0
976 8002.6 943.4 6425.9 0.0 0.0 0.0 0.0 0.0 0.0
977 41480.6 4542.5 36628.7 0.0 0.0 0.0 0.0 0.0 0.0
977 8002.6 887.6 6448.7 0.0 0.0 0.0 0.0 0.0 0.0
978 41436.6 4551.6 36404.1 0.0 0.0 0.0 0.0 0.0 0.0
978 8002.6 889.3 6449.2 0.0 0.0 0.0 0.0 0.0 0.0
979 41348.5 4552.2 36315.6 0.0 0.0 0.0 0.0 0.0 0.0
979 8002.6 889.2 6449.2 0.0 0.0 0.0 0.0 0.0 0.0
980 41803.1 4551.6 36763.5 0.0 0.0 0.0 0.0 0.0 0.0
980 8002.6 889.2 6449.2 0.0 0.0 0.0 0.0 0.0 0.0
981 41357.9 4553.2 36322.4 0.0 0.0 0.0 0.0 0.0 0.0
981 8002.6 889.2 6449.2 0.0 0.0 0.0 0.0 0.0 0.0
982 41178.2 4550.6 36146.5 0.0 0.0 0.0 0.0 0.0 0.0
982 8002.6 889.3 6449.2 0.0 0.0 0.0 0.0 0.0 0.0
983 42052.8 4552.0 36985.8 0.0 0.0 0.0 0.0 0.0 0.0
983 8002.6 889.2 6449.2 0.0 0.0 0.0 0.0 0.0 0.0
984 40460.8 4551.4 35429.4 0.0 0.0 0.0 0.0 0.0 0.0
984 8002.6 889.3 6449.2 0.0 0.0 0.0 0.0 0.0 0.0
985 41694.8 4399.9 36967.8 0.0 0.0 0.0 0.0 0.0 0.0
985 8002.6 865.8 6462.6 0.0 0.0 0.0 0.0 0.0 0.0
986 41618.6 4408.6 36722.7 0.0 0.0 0.0 0.0 0.0 0.0
986 8002.6 867.3 6463.0 0.0 0.0 0.0 0.0 0.0 0.0
987 41752.0 4408.7 36854.2 0.0 0.0 0.0 0.0 0.0 0.0
987 8002.6 867.2 6463.1 0.0 0.0 0.0 0.0 0.0 0.0
988 41837.9 4408.3 36944.2 0.0 0.0 0.0 0.0 0.0 0.0
988 8002.6 867.3 6463.1 0.0 0.0 0.0 0.0 0.0 0.0
989 41579.9 4410.4 36687.2 0.0 0.0 0.0 0.0 0.0 0.0
989 8002.6 867.3 6463.0 0.0 0.0 0.0 0.0 0.0 0.0
990 41391.6 4408.0 36495.1 0.0 0.0 0.0 0.0 0.0 0.0
990 8002.6 867.3 6463.0 0.0 0.0 0.0 0.0 0.0 0.0
991 42028.9 4408.9 37095.5 0.0 0.0 0.0 0.0 0.0 0.0
991 8002.6 867.3 6463.0 0.0 0.0 0.0 0.0 0.0 0.0
992 40620.0 4409.0 35725.4 0.0 0.0 0.0 0.0 0.0 0.0
992 8002.6 867.3 6463.0 0.0 0.0 0.0 0.0 0.0 0.0
993 41561.7 5046.2 36131.8 0.0 0.0 0.0 0.0 0.0 0.0
993 8002.6 975.5 6317.5 0.0 0.0 0.0 0.0 0.0 0.0
994 41341.9 5055.0 35772.9 0.0 0.0 0.0 0.0 0.0 0.0
994 8002.6 977.0 6318.0 0.0 0.0 0.0 0.0 0.0 0.0
995 41615.7 5055.3 36043.4 0.0 0.0 0.0 0.0 0.0 0.0
995 8002.6 977.1 6317.9 0.0 0.0 0.0 0.0 0.0 0.0
996 41688.6 5055.3 36115.8 0.0 0.0 0.0 0.0 0.0 0.0
996 8002.6 977.0 6318.0 0.0 0.0 0.0 0.0 0.0 0.0
997 41412.7 5056.7 35841.6 0.0 0.0 0.0 0.0 0.0 0.0
997 8002.6 977.0 6318.0 0.0 0.0 0.0 0.0 0.0 0.0
998 41330.9 5054.1 35760.7 0.0 0.0 0.0 0.0 0.0 0.0
998 8002.6 977.1 6318.0 0.0 0.0 0.0 0.0 0.0 0.0
999 41931.1 5055.9 36326.2 0.0 0.0 0.0 0.0 0.0 0.0
999 8002.6 977.1 6318.0 0.0 0.0 0.0 0.0 0.0 0.0
1000 40807.9 5054.9 35239.2 0.0 0.0 0.0 0.0 0.0 0.0
1000 8002.6 977.0 6317.9 0.0 0.0 0.0 0.0 0.0 0.0
1001 41775.6 4376.2 37079.8 0.0 0.0 0.0 0.0 0.0 0.0
1001 8002.6 862.8 6473.5 0.0 0.0 0.0 0.0 0.0 0.0
1002 41511.8 4384.6 36643.1 0.0 0.0 0.0 0.0 0.0 0.0
1002 8002.6 864.7 6474.0 0.0 0.0 0.0 0.0 0.0 0.0
1003 41711.7 4385.3 36840.9 0.0 0.0 0.0 0.0 0.0 0.0
1003 8002.6 864.6 6474.0 0.0 0.0 0.0 0.0 0.0 0.0
1004 41963.9 4384.6 37088.8 0.0 0.0 0.0 0.0 0.0 0.0
1004 8002.6 864.7 6474.0 0.0 0.0 0.0 0.0 0.0 0.0
1005 41580.6 4386.6 36706.9 0.0 0.0 0.0 0.0 0.0 0.0
1005 8002.6 864.6 6474.0 0.0 0.0 0.0 0.0 0.0 0.0
1006 41556.5 4383.8 36689.1 0.0 0.0 0.0 0.0 0.0 0.0
1006 8002.6 864.7 6474.0 0.0 0.0 0.0 0.0 0.0 0.0
1007 42091.0 4385.5 37178.8 0.0 0.0 0.0 0.0 0.0 0.0
1007 8002.6 864.7 6474.0 0.0 0.0 0.0 0.0 0.0 0.0
1008 40772.3 4384.9 35904.7 0.0 0.0 0.0 0.0 0.0 0.0
1008 8002.6 864.6 6474.0 0.0 0.0 0.0 0.0 0.0 0.0
1009 41645.0 4393.3 36926.7 0.0 0.0 0.0 0.0 0.0 0.0
1009 8002.7 866.8 6463.5 0.0 0.0 0.0 0.0 0.0 0.0
1010 41443.0 4402.1 36566.4 0.0 0.0 0.0 0.0 0.0 0.0
1010 8002.7 868.1 6463.9 0.0 0.0 0.0 0.0 0.0 0.0
1011 41503.5 4402.8 36611.9 0.0 0.0 0.0 0.0 0.0 0.0
1011 8002.7 868.2 6464.0 0.0 0.0 0.0 0.0 0.0 0.0
1012 41783.0 4402.3 36887.1 0.0 0.0 0.0 0.0 0.0 0.0
1012 8002.7 868.2 6464.0 0.0 0.0 0.0 0.0 0.0 0.0
1013 41413.5 4404.2 36521.7 0.0 0.0 0.0 0.0 0.0 0.0
1013 8002.7 868.1 6464.0 0.0 0.0 0.0 0.0 0.0 0.0
1014 41325.1 4401.8 36434.2 0.0 0.0 0.0 0.0 0.0 0.0
1014 8002.7 868.2 6463.9 0.0 0.0 0.0 0.0 0.0 0.0
1015 42045.3 4402.8 37114.0 0.0 0.0 0.0 0.0 0.0 0.0
1015 8002.7 868.1 6463.9 0.0 0.0 0.0 0.0 0.0 0.0
1016 40485.8 4403.1 35594.8 0.0 0.0 0.0 0.0 0.0 0.0
1016 8002.7 868.1 6463.9 0.0 0.0 0.0 0.0 0.0 0.0
1017 41511.7 4426.2 36702.4 0.0 0.0 0.0 0.0 0.0 0.0
1017 8002.6 871.6 6422.2 0.0 0.0 0.0 0.0 0.0 0.0
1018 41293.2 4434.8 36346.4 0.0 0.0 0.0 0.0 0.0 0.0
1018 8002.6 873.0 6422.7 0.0 0.0 0.0 0.0 0.0 0.0
1019 41473.6 4435.5 36527.9 0.0 0.0 0.0 0.0 0.0 0.0
1019 8002.6 873.0 6422.7 0.0 0.0 0.0 0.0 0.0 0.0
1020 41597.7 4435.2 36650.7 0.0 0.0 0.0 0.0 0.0 0.0
1020 8002.6 873.0 6422.7 0.0 0.0 0.0 0.0 0.0 0.0
1021 41367.2 4437.1 36418.6 0.0 0.0 0.0 0.0 0.0 0.0
1021 8002.6 873.0 6422.7 0.0 0.0 0.0 0.0 0.0 0.0
1022 41332.0 4434.5 36385.5 0.0 0.0 0.0 0.0 0.0 0.0
1022 8002.6 873.0 6422.7 0.0 0.0 0.0 0.0 0.0 0.0
1023 41944.6 4435.9 36958.9 0.0 0.0 0.0 0.0 0.0 0.0
1023 8002.6 873.0 6422.7 0.0 0.0 0.0 0.0 0.0 0.0
1024 40533.7 4435.6 35589.5 0.0 0.0 0.0 0.0 0.0 0.0
1024 8002.6 873.0 6422.7 0.0 0.0 0.0 0.0 0.0 0.0
averaged 41573.4 4433.2 36579.4 0.0 0.0 0.0 0.0 0.0 0.0
averaged 8002.7 872.9 6450.3 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 3.0 2647.3 0.2 68.9 41297.0 0.0 10.8 0.0 0.0
1 4.9 451.5 0.6 165.6 7347.1 0.0 25.9 0.0 0.0
2 3.1 2647.8 0.2 113.9 40925.1 0.0 17.9 0.0 0.0
2 4.9 451.5 0.6 165.6 7347.2 0.0 25.9 0.0 0.0
3 3.1 2649.5 0.2 113.5 41269.0 0.0 17.9 0.0 0.0
3 4.9 451.5 0.6 165.6 7347.2 0.0 25.9 0.0 0.0
4 3.1 2644.1 0.2 113.7 41291.0 0.0 17.8 0.0 0.0
4 4.9 451.5 0.6 165.6 7347.2 0.0 25.9 0.0 0.0
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6 3.1 2646.0 0.2 113.3 40998.1 0.0 17.7 0.0 0.0
6 4.9 451.5 0.6 165.6 7347.2 0.0 25.9 0.0 0.0
7 3.1 2649.8 0.2 113.8 41496.8 0.0 17.8 0.0 0.0
7 4.9 451.5 0.6 165.6 7347.2 0.0 25.9 0.0 0.0
8 3.1 2643.0 0.2 113.6 40172.4 0.0 17.8 0.0 0.0
8 4.9 451.5 0.6 165.6 7347.2 0.0 25.9 0.0 0.0
9 3.0 57.4 0.2 252.3 41575.3 0.0 8.3 0.0 0.0
9 4.9 12.8 0.6 604.3 7353.3 0.0 20.1 0.0 0.0
10 3.1 56.9 0.2 415.2 41228.2 0.0 13.8 0.0 0.0
10 4.9 12.8 0.6 604.3 7353.3 0.0 20.1 0.0 0.0
11 3.1 57.4 0.2 408.6 41219.9 0.0 13.5 0.0 0.0
11 4.9 12.8 0.6 604.3 7353.3 0.0 20.1 0.0 0.0
12 3.1 56.7 0.2 416.7 41476.3 0.0 13.8 0.0 0.0
12 4.9 12.8 0.6 604.3 7353.3 0.0 20.1 0.0 0.0
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122 4.9 13.8 0.6 603.3 7366.5 0.0 6.6 0.0 0.0
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130 4.9 345.9 0.6 271.2 7347.4 0.0 25.7 0.0 0.0
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265 3.0 55.9 0.2 252.0 41183.0 0.0 10.5 0.0 0.0
265 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
266 3.1 55.2 0.2 412.5 40832.1 0.0 17.5 0.0 0.0
266 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
267 3.1 55.9 0.2 415.0 40995.7 0.0 17.6 0.0 0.0
267 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
268 3.1 55.2 0.2 416.0 41258.8 0.0 17.6 0.0 0.0
268 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
269 3.0 55.5 0.2 417.2 40828.2 0.0 17.7 0.0 0.0
269 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
270 3.1 55.4 0.2 414.1 40808.5 0.0 17.5 0.0 0.0
270 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
271 3.1 56.4 0.2 411.8 41299.4 0.0 17.4 0.0 0.0
271 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
272 3.1 54.3 0.2 413.1 40078.9 0.0 17.5 0.0 0.0
272 4.9 12.6 0.6 604.6 7347.8 0.0 25.5 0.0 0.0
273 3.0 57.0 0.2 249.9 41668.7 0.0 7.4 0.0 0.0
273 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
274 3.1 56.2 0.2 414.8 41394.2 0.0 12.3 0.0 0.0
274 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
275 3.1 57.1 0.2 414.2 41402.6 0.0 12.4 0.0 0.0
275 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
276 3.1 56.2 0.2 415.8 41642.8 0.0 12.3 0.0 0.0
276 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
277 3.1 56.6 0.2 416.9 41270.6 0.0 12.4 0.0 0.0
277 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
278 3.1 56.4 0.2 417.0 41085.9 0.0 12.3 0.0 0.0
278 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
279 3.1 57.5 0.2 414.1 41713.0 0.0 12.3 0.0 0.0
279 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
280 3.1 55.5 0.2 413.0 40457.7 0.0 12.3 0.0 0.0
280 4.9 12.7 0.6 604.5 7355.4 0.0 18.0 0.0 0.0
281 3.0 110.3 0.2 245.0 41497.6 0.0 9.2 0.0 0.0
281 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
282 3.1 109.1 0.2 404.6 41085.0 0.0 15.3 0.0 0.0
282 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
283 3.1 110.8 0.2 405.4 41329.9 0.0 15.2 0.0 0.0
283 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
284 3.1 109.0 0.2 405.3 41441.3 0.0 15.2 0.0 0.0
284 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
285 3.1 109.6 0.2 405.2 41076.5 0.0 15.2 0.0 0.0
285 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
286 3.1 109.6 0.2 405.3 41059.8 0.0 15.1 0.0 0.0
286 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
287 3.1 111.6 0.2 405.7 41602.0 0.0 15.2 0.0 0.0
287 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
288 3.0 107.4 0.2 390.3 40309.4 0.0 15.1 0.0 0.0
288 4.9 24.8 0.6 592.3 7351.2 0.0 22.1 0.0 0.0
289 2.9 55.9 0.2 246.3 41303.2 0.0 10.6 0.0 0.0
289 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
290 3.1 55.3 0.2 414.8 40902.0 0.0 17.6 0.0 0.0
290 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
291 3.1 56.0 0.2 412.8 40960.0 0.0 17.6 0.0 0.0
291 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
292 3.1 55.2 0.2 413.5 41166.0 0.0 17.5 0.0 0.0
292 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
293 3.1 55.5 0.2 412.8 40822.3 0.0 17.5 0.0 0.0
293 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
294 3.0 55.6 0.2 415.5 40705.0 0.0 17.4 0.0 0.0
294 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
295 3.1 56.5 0.2 414.0 41409.9 0.0 17.6 0.0 0.0
295 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
296 3.1 54.5 0.2 413.9 40119.4 0.0 17.6 0.0 0.0
296 4.9 12.6 0.6 604.5 7347.8 0.0 25.6 0.0 0.0
297 3.0 64.7 0.2 251.4 41374.8 0.0 10.5 0.0 0.0
297 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
298 3.1 64.3 0.2 414.1 41083.6 0.0 17.2 0.0 0.0
298 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
299 3.1 64.7 0.2 412.6 41093.2 0.0 17.3 0.0 0.0
299 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
300 3.1 63.6 0.2 414.1 41330.5 0.0 17.5 0.0 0.0
300 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
301 3.1 64.3 0.2 410.4 40955.0 0.0 17.2 0.0 0.0
301 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
302 3.1 64.1 0.2 415.1 40966.8 0.0 17.3 0.0 0.0
302 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
303 3.1 65.1 0.2 413.6 41483.2 0.0 17.4 0.0 0.0
303 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
304 3.1 62.8 0.2 414.9 40260.0 0.0 17.4 0.0 0.0
304 4.9 14.1 0.6 603.0 7347.7 0.0 25.3 0.0 0.0
305 3.0 55.8 0.2 252.3 41015.8 0.0 11.0 0.0 0.0
305 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
306 3.1 55.3 0.2 413.4 40596.8 0.0 18.2 0.0 0.0
306 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
307 3.1 55.9 0.2 412.6 40733.2 0.0 18.2 0.0 0.0
307 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
308 3.1 55.1 0.2 414.7 40946.3 0.0 18.3 0.0 0.0
308 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
309 3.1 55.4 0.2 414.0 40659.8 0.0 18.1 0.0 0.0
309 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
310 3.1 55.5 0.2 415.3 40444.3 0.0 18.2 0.0 0.0
310 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
311 3.1 56.4 0.2 411.8 41318.2 0.0 18.1 0.0 0.0
311 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
312 3.1 54.3 0.2 414.0 39891.3 0.0 18.3 0.0 0.0
312 4.9 12.5 0.6 604.6 7346.5 0.0 26.5 0.0 0.0
313 3.0 55.8 0.2 251.8 41249.5 0.0 11.1 0.0 0.0
313 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
314 3.1 55.2 0.2 415.4 40873.8 0.0 18.2 0.0 0.0
314 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
315 3.1 56.0 0.2 414.3 40846.7 0.0 18.1 0.0 0.0
315 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
316 3.1 55.0 0.2 413.8 41322.7 0.0 18.2 0.0 0.0
316 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
317 3.1 55.4 0.2 414.4 40875.8 0.0 18.3 0.0 0.0
317 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
318 3.1 55.2 0.2 415.7 40687.9 0.0 18.2 0.0 0.0
318 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
319 3.1 56.5 0.2 415.3 41269.9 0.0 18.2 0.0 0.0
319 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
320 3.1 54.4 0.2 415.2 40006.1 0.0 18.2 0.0 0.0
320 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
321 3.0 57.0 0.2 251.4 41729.0 0.0 1.8 0.0 0.0
321 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
322 3.1 55.9 0.2 415.0 41282.8 0.0 3.0 0.0 0.0
322 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
323 3.1 56.8 0.2 415.7 41379.9 0.0 3.0 0.0 0.0
323 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
324 3.1 56.0 0.2 413.6 41631.2 0.0 3.0 0.0 0.0
324 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
325 3.1 56.3 0.2 416.4 41335.2 0.0 3.0 0.0 0.0
325 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
326 3.1 56.3 0.2 413.9 41117.8 0.0 3.0 0.0 0.0
326 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
327 3.1 56.9 0.2 412.8 41673.5 0.0 3.0 0.0 0.0
327 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
328 3.1 55.2 0.2 413.2 40559.3 0.0 3.0 0.0 0.0
328 4.9 12.7 0.6 604.5 7368.8 0.0 4.3 0.0 0.0
329 3.0 55.6 0.2 251.6 41245.9 0.0 10.6 0.0 0.0
329 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
330 3.1 54.9 0.2 415.7 40798.2 0.0 17.5 0.0 0.0
330 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
331 3.1 55.8 0.2 413.9 41035.5 0.0 17.5 0.0 0.0
331 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
332 3.1 55.1 0.2 414.5 41106.6 0.0 17.4 0.0 0.0
332 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
333 3.1 55.3 0.2 413.8 40843.4 0.0 17.3 0.0 0.0
333 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
334 3.1 55.3 0.2 412.7 40652.4 0.0 17.4 0.0 0.0
334 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
335 3.1 56.3 0.2 412.7 41307.3 0.0 17.5 0.0 0.0
335 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
336 3.1 54.3 0.2 414.2 40089.3 0.0 17.5 0.0 0.0
336 4.9 12.5 0.6 604.6 7347.7 0.0 25.4 0.0 0.0
337 3.0 57.5 0.2 252.8 41296.8 0.0 10.7 0.0 0.0
337 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
338 3.1 56.9 0.2 415.1 40872.4 0.0 17.8 0.0 0.0
338 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
339 3.1 57.6 0.2 415.7 40993.1 0.0 17.7 0.0 0.0
339 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
340 3.1 56.8 0.2 413.9 41235.8 0.0 17.7 0.0 0.0
340 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
341 3.1 57.1 0.2 414.3 40877.8 0.0 17.8 0.0 0.0
341 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
342 3.1 57.1 0.2 415.5 40719.4 0.0 17.7 0.0 0.0
342 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
343 3.1 58.1 0.2 414.4 41471.8 0.0 17.7 0.0 0.0
343 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
344 3.1 55.9 0.2 416.8 40066.0 0.0 17.7 0.0 0.0
344 4.9 12.8 0.6 604.3 7347.1 0.0 25.9 0.0 0.0
345 3.0 61.1 0.2 251.9 41495.1 0.0 2.7 0.0 0.0
345 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
346 3.1 60.6 0.2 415.0 41243.5 0.0 4.5 0.0 0.0
346 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
347 3.1 61.1 0.2 413.1 41516.3 0.0 4.4 0.0 0.0
347 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
348 3.1 60.3 0.2 413.8 41541.4 0.0 4.4 0.0 0.0
348 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
349 3.1 60.7 0.2 414.6 41138.9 0.0 4.5 0.0 0.0
349 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
350 3.1 60.2 0.2 410.6 41080.4 0.0 4.4 0.0 0.0
350 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
351 3.1 61.4 0.2 415.7 41695.9 0.0 4.5 0.0 0.0
351 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
352 3.1 59.3 0.2 414.8 40396.9 0.0 4.5 0.0 0.0
352 4.9 13.4 0.6 603.8 7366.9 0.0 6.5 0.0 0.0
353 3.0 56.9 0.2 253.7 41500.1 0.0 8.4 0.0 0.0
353 4.9 12.7 0.6 604.4 7352.8 0.0 20.3 0.0 0.0
354 3.1 56.5 0.2 414.3 41239.6 0.0 14.0 0.0 0.0
354 4.9 12.7 0.6 604.4 7352.8 0.0 20.3 0.0 0.0
355 3.1 57.0 0.2 413.9 41232.8 0.0 13.9 0.0 0.0
355 4.9 12.7 0.6 604.4 7352.8 0.0 20.3 0.0 0.0
356 3.1 56.3 0.2 416.4 41434.3 0.0 13.8 0.0 0.0
356 4.9 12.7 0.6 604.4 7352.8 0.0 20.3 0.0 0.0
357 3.1 56.5 0.2 414.9 41212.2 0.0 14.0 0.0 0.0
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358 3.1 56.5 0.2 414.3 41048.8 0.0 13.9 0.0 0.0
358 4.9 12.7 0.6 604.4 7352.8 0.0 20.3 0.0 0.0
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359 4.9 12.7 0.6 604.4 7352.8 0.0 20.3 0.0 0.0
360 3.1 55.5 0.2 416.2 40357.1 0.0 14.1 0.0 0.0
360 4.9 12.7 0.6 604.4 7352.8 0.0 20.3 0.0 0.0
361 2.9 110.7 0.2 245.2 41520.4 0.0 10.1 0.0 0.0
361 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
362 3.1 109.2 0.2 405.8 41186.2 0.0 16.5 0.0 0.0
362 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
363 3.1 111.0 0.2 404.6 41137.4 0.0 16.6 0.0 0.0
363 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
364 3.1 109.3 0.2 406.2 41528.9 0.0 16.6 0.0 0.0
364 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
365 3.1 110.0 0.2 404.9 41199.1 0.0 16.6 0.0 0.0
365 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
366 3.1 109.5 0.2 406.1 41008.1 0.0 16.6 0.0 0.0
366 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
367 3.1 111.6 0.2 403.8 41596.0 0.0 16.6 0.0 0.0
367 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
368 3.1 107.3 0.2 406.9 40190.9 0.0 16.7 0.0 0.0
368 4.9 24.9 0.6 592.2 7348.9 0.0 24.2 0.0 0.0
369 3.0 55.3 0.2 250.2 41272.2 0.0 11.0 0.0 0.0
369 4.9 12.4 0.6 604.7 7346.5 0.0 26.6 0.0 0.0
370 3.1 54.6 0.2 416.2 40831.7 0.0 18.3 0.0 0.0
370 4.9 12.4 0.6 604.7 7346.5 0.0 26.6 0.0 0.0
371 3.1 55.3 0.2 415.4 40949.1 0.0 18.3 0.0 0.0
371 4.9 12.4 0.6 604.7 7346.5 0.0 26.6 0.0 0.0
372 3.1 54.5 0.2 414.9 41301.1 0.0 18.3 0.0 0.0
372 4.9 12.4 0.6 604.7 7346.5 0.0 26.6 0.0 0.0
373 3.1 54.7 0.2 417.1 40829.0 0.0 18.3 0.0 0.0
373 4.9 12.4 0.6 604.7 7346.5 0.0 26.6 0.0 0.0
374 3.1 54.7 0.2 413.9 40758.1 0.0 18.2 0.0 0.0
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375 4.9 12.4 0.6 604.7 7346.5 0.0 26.6 0.0 0.0
376 3.1 53.7 0.2 416.3 40048.8 0.0 18.2 0.0 0.0
376 4.9 12.4 0.6 604.7 7346.5 0.0 26.6 0.0 0.0
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377 4.9 12.7 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
378 3.1 56.3 0.2 415.6 40724.7 0.0 17.8 0.0 0.0
378 4.9 12.7 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
379 3.1 57.1 0.2 417.8 40889.2 0.0 17.9 0.0 0.0
379 4.9 12.7 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
380 3.1 56.2 0.2 415.0 41088.8 0.0 17.7 0.0 0.0
380 4.9 12.7 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
381 3.1 56.4 0.2 416.5 40817.3 0.0 17.8 0.0 0.0
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382 3.1 56.5 0.2 420.7 40575.2 0.0 17.7 0.0 0.0
382 4.9 12.7 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
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383 4.9 12.7 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
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384 4.9 12.7 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
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385 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
386 3.1 110.4 0.2 404.2 40922.1 0.0 17.6 0.0 0.0
386 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
387 3.1 111.8 0.2 404.4 41082.9 0.0 17.6 0.0 0.0
387 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
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388 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
389 3.1 110.8 0.2 406.6 40915.8 0.0 17.6 0.0 0.0
389 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
390 3.1 110.7 0.2 405.4 40874.6 0.0 17.7 0.0 0.0
390 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
391 3.1 112.7 0.2 405.8 41467.9 0.0 17.6 0.0 0.0
391 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
392 3.1 108.6 0.2 407.0 40138.4 0.0 17.6 0.0 0.0
392 4.9 25.1 0.6 592.0 7347.8 0.0 25.6 0.0 0.0
393 3.1 57.0 0.2 250.7 41328.2 0.0 10.9 0.0 0.0
393 4.9 12.7 0.6 604.4 7346.8 0.0 26.3 0.0 0.0
394 3.1 56.6 0.2 414.4 41000.5 0.0 18.1 0.0 0.0
394 4.9 12.7 0.6 604.4 7346.8 0.0 26.3 0.0 0.0
395 3.1 56.7 0.2 415.0 41063.1 0.0 18.1 0.0 0.0
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396 3.1 56.1 0.2 414.2 41297.5 0.0 18.1 0.0 0.0
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399 3.2 57.4 0.2 414.4 41611.2 0.0 18.1 0.0 0.0
399 4.9 12.7 0.6 604.4 7346.8 0.0 26.3 0.0 0.0
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525 3.1 57.2 0.2 413.3 41120.2 0.0 10.7 0.0 0.0
525 4.9 12.8 0.6 604.3 7357.8 0.0 15.6 0.0 0.0
526 3.1 57.1 0.2 414.2 41157.3 0.0 10.7 0.0 0.0
526 4.9 12.8 0.6 604.3 7357.8 0.0 15.6 0.0 0.0
527 3.1 58.1 0.2 416.5 41622.1 0.0 10.6 0.0 0.0
527 4.9 12.8 0.6 604.3 7357.8 0.0 15.6 0.0 0.0
528 3.1 56.1 0.2 415.1 40444.3 0.0 10.7 0.0 0.0
528 4.9 12.8 0.6 604.3 7357.8 0.0 15.6 0.0 0.0
529 3.0 116.1 0.2 245.1 41426.0 0.0 10.6 0.0 0.0
529 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
530 3.0 114.9 0.2 390.7 41112.7 0.0 17.0 0.0 0.0
530 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
531 3.1 116.1 0.2 408.5 41172.7 0.0 17.3 0.0 0.0
531 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
532 3.1 114.8 0.2 401.0 41427.0 0.0 17.4 0.0 0.0
532 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
533 3.1 115.3 0.2 404.4 41068.6 0.0 17.3 0.0 0.0
533 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
534 3.1 115.3 0.2 403.8 40978.8 0.0 17.2 0.0 0.0
534 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
535 3.1 117.1 0.2 406.5 41573.4 0.0 17.3 0.0 0.0
535 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
536 3.1 113.2 0.2 404.3 40331.7 0.0 17.2 0.0 0.0
536 4.9 25.8 0.6 591.3 7348.0 0.0 25.1 0.0 0.0
537 3.1 55.2 0.2 250.6 41120.3 0.0 10.8 0.0 0.0
537 4.9 12.5 0.6 604.6 7347.3 0.0 25.8 0.0 0.0
538 3.1 54.7 0.2 414.4 40838.7 0.0 17.7 0.0 0.0
538 4.9 12.5 0.6 604.6 7347.3 0.0 25.8 0.0 0.0
539 3.1 55.4 0.2 414.4 40910.4 0.0 17.7 0.0 0.0
539 4.9 12.5 0.6 604.6 7347.3 0.0 25.8 0.0 0.0
540 3.1 54.5 0.2 414.7 41082.6 0.0 17.7 0.0 0.0
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541 3.1 54.8 0.2 411.4 40763.0 0.0 17.6 0.0 0.0
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542 3.1 54.8 0.2 415.2 40617.7 0.0 17.7 0.0 0.0
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543 3.1 55.7 0.2 413.4 41177.7 0.0 17.6 0.0 0.0
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544 3.1 53.7 0.2 415.7 40058.3 0.0 17.7 0.0 0.0
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545 3.0 55.5 0.2 251.2 41491.1 0.0 5.0 0.0 0.0
545 4.9 12.5 0.6 604.6 7360.5 0.0 12.6 0.0 0.0
546 3.1 55.4 0.2 414.6 41211.1 0.0 8.6 0.0 0.0
546 4.9 12.5 0.6 604.6 7360.5 0.0 12.6 0.0 0.0
547 3.1 55.9 0.2 414.2 41247.8 0.0 8.6 0.0 0.0
547 4.9 12.5 0.6 604.6 7360.5 0.0 12.6 0.0 0.0
548 3.1 55.0 0.2 414.5 41507.3 0.0 8.6 0.0 0.0
548 4.9 12.5 0.6 604.6 7360.5 0.0 12.6 0.0 0.0
549 3.1 55.4 0.2 415.4 41147.4 0.0 8.6 0.0 0.0
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550 3.1 55.0 0.2 413.5 41106.2 0.0 8.6 0.0 0.0
550 4.9 12.5 0.6 604.6 7360.5 0.0 12.6 0.0 0.0
551 3.1 56.2 0.2 416.3 41612.7 0.0 8.6 0.0 0.0
551 4.9 12.5 0.6 604.6 7360.5 0.0 12.6 0.0 0.0
552 3.1 54.2 0.2 416.0 40398.9 0.0 8.6 0.0 0.0
552 4.9 12.5 0.6 604.6 7360.5 0.0 12.6 0.0 0.0
553 3.0 60.2 0.2 256.0 41238.3 0.0 10.4 0.0 0.0
553 4.9 13.3 0.6 603.8 7348.4 0.0 24.7 0.0 0.0
554 3.1 59.8 0.2 414.7 40803.2 0.0 17.0 0.0 0.0
554 4.9 13.3 0.6 603.8 7348.4 0.0 24.7 0.0 0.0
555 3.1 60.5 0.2 412.8 40811.9 0.0 17.0 0.0 0.0
555 4.9 13.3 0.6 603.8 7348.4 0.0 24.7 0.0 0.0
556 3.1 59.8 0.2 412.3 41088.5 0.0 17.0 0.0 0.0
556 4.9 13.3 0.6 603.8 7348.4 0.0 24.7 0.0 0.0
557 3.1 60.0 0.2 415.5 40740.8 0.0 17.0 0.0 0.0
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558 3.1 60.0 0.2 412.7 40664.6 0.0 17.0 0.0 0.0
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569 3.1 57.9 0.2 252.1 41128.0 0.0 10.3 0.0 0.0
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570 3.1 57.3 0.2 412.6 40679.0 0.0 17.1 0.0 0.0
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573 3.1 57.5 0.2 416.3 40783.5 0.0 17.2 0.0 0.0
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653 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
654 3.1 55.2 0.2 414.9 40553.7 0.0 18.3 0.0 0.0
654 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
655 3.1 56.2 0.2 412.2 41232.9 0.0 18.2 0.0 0.0
655 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
656 3.1 54.1 0.2 413.7 39897.5 0.0 18.1 0.0 0.0
656 4.9 12.5 0.6 604.6 7346.6 0.0 26.5 0.0 0.0
657 3.1 3624.0 0.2 0.0 41294.2 0.0 11.1 0.0 0.0
657 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
658 3.1 3621.6 0.2 0.0 40944.3 0.0 18.3 0.0 0.0
658 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
659 3.1 3621.1 0.2 0.0 41040.5 0.0 18.3 0.0 0.0
659 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
660 3.1 3619.6 0.2 0.0 41283.8 0.0 18.2 0.0 0.0
660 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
661 3.1 3626.0 0.2 0.0 40934.2 0.0 18.3 0.0 0.0
661 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
662 3.1 3620.9 0.2 0.0 40888.6 0.0 18.4 0.0 0.0
662 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
663 3.1 3621.4 0.2 0.0 41376.1 0.0 18.2 0.0 0.0
663 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
664 3.1 3617.5 0.2 0.0 40113.0 0.0 18.1 0.0 0.0
664 4.9 617.1 0.6 0.0 7346.4 0.0 26.7 0.0 0.0
665 3.0 109.7 0.2 251.0 41434.2 0.0 10.6 0.0 0.0
665 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
666 3.1 108.5 0.2 406.0 40943.9 0.0 17.3 0.0 0.0
666 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
667 3.1 109.9 0.2 406.4 41186.8 0.0 17.4 0.0 0.0
667 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
668 3.1 108.4 0.2 406.6 41313.2 0.0 17.3 0.0 0.0
668 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
669 3.1 109.1 0.2 406.2 40933.3 0.0 17.2 0.0 0.0
669 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
670 3.1 109.0 0.2 406.6 41010.3 0.0 17.4 0.0 0.0
670 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
671 3.1 110.6 0.2 407.5 41481.7 0.0 17.4 0.0 0.0
671 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
672 3.1 106.8 0.2 407.4 40220.9 0.0 17.3 0.0 0.0
672 4.9 24.7 0.6 592.4 7347.8 0.0 25.2 0.0 0.0
673 3.0 109.8 0.2 242.6 41254.3 0.0 10.7 0.0 0.0
673 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
674 3.1 108.3 0.2 407.2 40862.1 0.0 17.2 0.0 0.0
674 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
675 3.1 109.7 0.2 408.4 40862.9 0.0 17.3 0.0 0.0
675 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
676 3.1 108.2 0.2 406.1 41252.1 0.0 17.3 0.0 0.0
676 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
677 3.1 108.9 0.2 406.8 40944.3 0.0 17.4 0.0 0.0
677 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
678 3.1 108.7 0.2 406.7 40690.3 0.0 17.4 0.0 0.0
678 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
679 3.1 110.7 0.2 404.3 41462.5 0.0 17.4 0.0 0.0
679 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
680 3.1 106.6 0.2 405.5 40015.3 0.0 17.4 0.0 0.0
680 4.9 24.6 0.6 592.5 7347.8 0.0 25.3 0.0 0.0
681 3.0 60.2 0.2 250.2 41405.1 0.0 2.0 0.0 0.0
681 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
682 3.1 59.6 0.2 415.9 41074.3 0.0 3.4 0.0 0.0
682 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
683 3.1 60.4 0.2 414.8 41107.1 0.0 3.4 0.0 0.0
683 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
684 3.1 59.4 0.2 415.4 41338.6 0.0 3.4 0.0 0.0
684 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
685 3.1 59.6 0.2 414.6 41080.5 0.0 3.4 0.0 0.0
685 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
686 3.1 59.7 0.2 415.2 40980.7 0.0 3.4 0.0 0.0
686 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
687 3.1 60.8 0.2 416.5 41668.1 0.0 3.4 0.0 0.0
687 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
688 3.1 58.7 0.2 402.2 40303.2 0.0 3.4 0.0 0.0
688 4.9 13.3 0.6 603.9 7368.1 0.0 4.9 0.0 0.0
689 3.0 55.0 0.2 251.3 41164.9 0.0 10.6 0.0 0.0
689 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
690 3.1 54.1 0.2 412.9 40759.5 0.0 17.9 0.0 0.0
690 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
691 3.1 55.0 0.2 414.1 41102.3 0.0 17.9 0.0 0.0
691 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
692 3.1 54.4 0.2 413.8 41099.4 0.0 17.9 0.0 0.0
692 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
693 3.1 54.6 0.2 415.4 40752.0 0.0 17.9 0.0 0.0
693 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
694 3.1 54.6 0.2 411.5 40797.4 0.0 17.8 0.0 0.0
694 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
695 3.2 55.1 0.2 414.0 41373.7 0.0 17.9 0.0 0.0
695 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
696 3.1 53.5 0.2 414.8 40040.0 0.0 17.9 0.0 0.0
696 4.9 12.4 0.6 604.7 7347.0 0.0 26.1 0.0 0.0
697 3.0 56.5 0.2 257.4 41349.3 0.0 10.6 0.0 0.0
697 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
698 3.1 55.5 0.2 411.8 40998.1 0.0 17.4 0.0 0.0
698 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
699 3.1 56.4 0.2 413.4 40998.0 0.0 17.4 0.0 0.0
699 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
700 3.1 55.6 0.2 415.0 41227.7 0.0 17.3 0.0 0.0
700 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
701 3.1 55.8 0.2 412.0 41127.4 0.0 17.4 0.0 0.0
701 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
702 3.1 56.0 0.2 415.8 40897.7 0.0 17.3 0.0 0.0
702 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
703 3.1 56.7 0.2 415.8 41491.6 0.0 17.5 0.0 0.0
703 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
704 3.1 54.5 0.2 414.9 40188.7 0.0 17.4 0.0 0.0
704 4.9 12.7 0.6 604.4 7347.7 0.0 25.3 0.0 0.0
705 3.0 108.3 0.2 248.9 41114.6 0.0 10.3 0.0 0.0
705 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
706 3.1 107.2 0.2 407.4 40716.9 0.0 17.2 0.0 0.0
706 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
707 3.1 108.5 0.2 406.7 40849.5 0.0 17.3 0.0 0.0
707 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
708 3.1 106.6 0.2 406.9 41172.8 0.0 17.2 0.0 0.0
708 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
709 3.1 107.5 0.2 406.1 40778.1 0.0 17.2 0.0 0.0
709 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
710 3.1 107.3 0.2 406.1 40659.5 0.0 17.2 0.0 0.0
710 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
711 3.1 109.3 0.2 405.9 41305.4 0.0 17.0 0.0 0.0
711 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
712 3.1 105.0 0.2 395.7 40037.3 0.0 16.6 0.0 0.0
712 4.9 24.4 0.6 592.7 7348.0 0.0 25.0 0.0 0.0
713 3.0 109.5 0.2 243.0 40904.5 0.0 10.8 0.0 0.0
713 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
714 3.1 108.2 0.2 406.5 40575.9 0.0 17.9 0.0 0.0
714 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
715 3.1 109.5 0.2 404.9 40654.1 0.0 18.0 0.0 0.0
715 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
716 3.1 108.1 0.2 409.5 40988.6 0.0 18.0 0.0 0.0
716 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
717 3.1 108.6 0.2 406.7 40541.8 0.0 17.9 0.0 0.0
717 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
718 3.1 108.5 0.2 405.9 40331.4 0.0 17.9 0.0 0.0
718 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
719 3.1 110.4 0.2 402.3 41177.6 0.0 18.0 0.0 0.0
719 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
720 3.1 106.6 0.2 405.0 39697.2 0.0 17.9 0.0 0.0
720 4.9 24.6 0.6 592.5 7347.0 0.0 26.1 0.0 0.0
721 3.0 1900.0 0.2 122.2 41559.4 0.0 6.9 0.0 0.0
721 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
722 3.1 1898.5 0.2 200.8 41226.0 0.0 11.4 0.0 0.0
722 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
723 3.1 1899.1 0.2 200.5 41264.8 0.0 11.4 0.0 0.0
723 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
724 3.1 1899.9 0.2 200.7 41527.1 0.0 11.4 0.0 0.0
724 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
725 3.1 1898.6 0.2 201.3 41118.1 0.0 11.4 0.0 0.0
725 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
726 3.1 1899.1 0.2 200.9 41149.1 0.0 11.4 0.0 0.0
726 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
727 3.1 1898.3 0.2 199.8 41779.3 0.0 11.4 0.0 0.0
727 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
728 3.0 1897.0 0.2 199.9 40388.9 0.0 11.4 0.0 0.0
728 4.9 325.0 0.6 292.2 7356.5 0.0 16.6 0.0 0.0
729 3.0 58.8 0.2 249.8 41590.3 0.0 1.8 0.0 0.0
729 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
730 3.1 58.3 0.2 415.1 41137.4 0.0 2.9 0.0 0.0
730 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
731 3.1 58.6 0.2 413.6 41328.6 0.0 2.9 0.0 0.0
731 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
732 3.1 58.0 0.2 414.0 41506.4 0.0 2.9 0.0 0.0
732 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
733 3.1 58.4 0.2 414.2 41187.7 0.0 2.9 0.0 0.0
733 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
734 3.1 58.5 0.2 414.6 41041.5 0.0 2.9 0.0 0.0
734 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
735 3.1 59.3 0.2 414.3 41655.6 0.0 2.9 0.0 0.0
735 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
736 3.1 57.3 0.2 410.5 40443.1 0.0 2.9 0.0 0.0
736 4.9 13.1 0.6 604.0 7368.8 0.0 4.2 0.0 0.0
737 3.0 110.5 0.2 243.8 41442.0 0.0 10.6 0.0 0.0
737 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
738 3.1 109.1 0.2 405.6 41171.2 0.0 17.5 0.0 0.0
738 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
739 3.1 110.6 0.2 407.8 41186.8 0.0 17.5 0.0 0.0
739 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
740 3.1 108.9 0.2 406.0 41435.1 0.0 17.6 0.0 0.0
740 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
741 3.1 109.6 0.2 409.8 41113.9 0.0 17.5 0.0 0.0
741 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
742 3.1 109.4 0.2 405.9 40980.9 0.0 17.5 0.0 0.0
742 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
743 3.1 111.5 0.2 403.2 41601.7 0.0 17.7 0.0 0.0
743 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
744 3.1 107.0 0.2 405.7 40440.2 0.0 17.5 0.0 0.0
744 4.9 24.9 0.6 592.3 7347.7 0.0 25.6 0.0 0.0
745 2.9 55.0 0.2 252.5 41444.6 0.0 7.8 0.0 0.0
745 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
746 3.1 54.5 0.2 413.3 40980.4 0.0 13.0 0.0 0.0
746 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
747 3.1 55.1 0.2 414.6 41190.4 0.0 12.0 0.0 0.0
747 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
748 3.1 54.3 0.2 414.8 41353.8 0.0 13.0 0.0 0.0
748 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
749 3.1 54.5 0.2 415.7 40954.8 0.0 13.1 0.0 0.0
749 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
750 3.1 54.5 0.2 414.1 40983.3 0.0 13.0 0.0 0.0
750 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
751 3.1 55.5 0.2 414.2 41650.2 0.0 13.0 0.0 0.0
751 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
752 3.1 53.5 0.2 414.1 40176.4 0.0 13.0 0.0 0.0
752 4.9 12.5 0.6 604.6 7354.1 0.0 18.9 0.0 0.0
753 3.1 55.6 0.2 251.2 41390.7 0.0 10.7 0.0 0.0
753 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
754 3.1 54.9 0.2 417.3 41164.1 0.0 17.8 0.0 0.0
754 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
755 3.1 55.6 0.2 416.9 41124.1 0.0 17.9 0.0 0.0
755 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
756 3.1 54.8 0.2 416.1 41478.0 0.0 17.8 0.0 0.0
756 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
757 3.1 55.0 0.2 415.9 41036.5 0.0 17.9 0.0 0.0
757 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
758 3.1 55.0 0.2 416.3 40915.7 0.0 18.0 0.0 0.0
758 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
759 3.2 56.0 0.2 418.0 41501.2 0.0 18.0 0.0 0.0
759 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
760 3.1 53.6 0.2 417.6 40264.4 0.0 17.7 0.0 0.0
760 4.9 12.4 0.6 604.7 7347.1 0.0 26.0 0.0 0.0
761 3.0 108.0 0.2 245.9 41266.5 0.0 11.0 0.0 0.0
761 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
762 3.1 106.6 0.2 406.9 40961.6 0.0 18.3 0.0 0.0
762 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
763 3.1 107.9 0.2 405.7 40954.1 0.0 18.3 0.0 0.0
763 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
764 3.1 106.5 0.2 407.5 41363.9 0.0 18.3 0.0 0.0
764 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
765 3.1 107.1 0.2 406.0 40852.9 0.0 18.2 0.0 0.0
765 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
766 3.1 106.9 0.2 406.7 40737.9 0.0 18.2 0.0 0.0
766 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
767 3.1 108.8 0.2 406.0 41325.3 0.0 18.3 0.0 0.0
767 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
768 3.1 104.8 0.2 398.7 40092.9 0.0 18.2 0.0 0.0
768 4.9 24.4 0.6 592.7 7346.4 0.0 26.7 0.0 0.0
769 3.0 57.1 0.2 254.1 41629.1 0.0 4.9 0.0 0.0
769 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
770 3.1 56.5 0.2 410.7 41331.5 0.0 8.0 0.0 0.0
770 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
771 3.1 57.1 0.2 415.4 41374.6 0.0 8.1 0.0 0.0
771 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
772 3.1 56.4 0.2 413.5 41567.9 0.0 8.1 0.0 0.0
772 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
773 3.1 56.8 0.2 415.7 41364.1 0.0 8.1 0.0 0.0
773 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
774 3.1 56.6 0.2 413.9 41259.9 0.0 8.0 0.0 0.0
774 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
775 3.1 57.6 0.2 414.9 41659.2 0.0 8.1 0.0 0.0
775 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
776 3.1 55.6 0.2 413.8 40509.5 0.0 8.1 0.0 0.0
776 4.9 12.8 0.6 604.3 7361.3 0.0 11.8 0.0 0.0
777 3.0 112.2 0.2 246.8 41196.6 0.0 10.9 0.0 0.0
777 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
778 3.1 111.1 0.2 406.9 40627.2 0.0 18.1 0.0 0.0
778 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
779 3.1 112.2 0.2 403.2 40881.9 0.0 18.1 0.0 0.0
779 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
780 3.1 110.6 0.2 404.4 41083.4 0.0 18.1 0.0 0.0
780 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
781 3.1 111.3 0.2 405.4 40741.5 0.0 18.1 0.0 0.0
781 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
782 3.1 111.2 0.2 406.0 40659.0 0.0 17.9 0.0 0.0
782 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
783 3.1 113.2 0.2 397.7 41270.1 0.0 17.6 0.0 0.0
783 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
784 3.1 109.3 0.2 405.4 40000.2 0.0 18.1 0.0 0.0
784 4.9 25.1 0.6 592.0 7347.0 0.0 26.3 0.0 0.0
785 3.1 56.4 0.2 252.8 41340.7 0.0 10.4 0.0 0.0
785 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
786 3.1 55.6 0.2 414.1 41218.9 0.0 17.2 0.0 0.0
786 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
787 3.1 56.3 0.2 416.1 41086.3 0.0 17.2 0.0 0.0
787 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
788 3.1 55.5 0.2 411.4 41390.2 0.0 17.1 0.0 0.0
788 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
789 3.1 55.8 0.2 415.5 41049.1 0.0 17.3 0.0 0.0
789 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
790 3.1 55.8 0.2 411.2 41027.7 0.0 17.1 0.0 0.0
790 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
791 3.1 56.7 0.2 415.4 41444.4 0.0 17.3 0.0 0.0
791 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
792 3.1 54.6 0.2 414.6 40161.0 0.0 17.2 0.0 0.0
792 4.9 12.5 0.6 604.6 7347.9 0.0 25.1 0.0 0.0
793 3.0 56.1 0.2 249.2 41258.4 0.0 10.4 0.0 0.0
793 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
794 3.0 55.4 0.2 415.4 40937.8 0.0 17.6 0.0 0.0
794 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
795 3.1 56.0 0.2 414.0 40914.4 0.0 17.4 0.0 0.0
795 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
796 3.1 55.3 0.2 415.1 41419.0 0.0 17.5 0.0 0.0
796 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
797 3.1 55.4 0.2 413.2 40920.3 0.0 17.4 0.0 0.0
797 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
798 3.1 55.5 0.2 416.2 40799.0 0.0 17.4 0.0 0.0
798 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
799 3.1 56.5 0.2 413.5 41399.2 0.0 17.4 0.0 0.0
799 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
800 3.1 54.4 0.2 414.4 40054.3 0.0 17.5 0.0 0.0
800 4.9 12.7 0.6 604.5 7347.9 0.0 25.5 0.0 0.0
801 3.0 56.6 0.2 251.3 41252.2 0.0 10.7 0.0 0.0
801 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
802 3.1 56.1 0.2 415.2 40825.8 0.0 17.8 0.0 0.0
802 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
803 3.1 56.7 0.2 411.7 40914.9 0.0 17.6 0.0 0.0
803 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
804 3.1 55.8 0.2 413.9 41199.1 0.0 17.8 0.0 0.0
804 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
805 3.1 56.2 0.2 415.5 40844.8 0.0 17.7 0.0 0.0
805 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
806 3.1 55.9 0.2 412.6 40716.8 0.0 17.7 0.0 0.0
806 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
807 3.2 57.1 0.2 414.5 41390.5 0.0 17.8 0.0 0.0
807 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
808 3.1 55.1 0.2 415.1 40086.7 0.0 17.7 0.0 0.0
808 4.9 12.6 0.6 604.5 7347.5 0.0 25.9 0.0 0.0
809 3.1 109.3 0.2 245.5 41314.4 0.0 10.5 0.0 0.0
809 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
810 3.1 108.2 0.2 405.8 40880.7 0.0 17.4 0.0 0.0
810 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
811 3.1 109.6 0.2 406.3 40973.3 0.0 17.4 0.0 0.0
811 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
812 3.1 107.9 0.2 405.6 41263.3 0.0 17.4 0.0 0.0
812 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
813 3.1 108.2 0.2 407.2 40878.3 0.0 17.4 0.0 0.0
813 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
814 3.1 108.5 0.2 403.1 40804.5 0.0 17.4 0.0 0.0
814 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
815 3.1 110.4 0.2 406.2 41400.6 0.0 17.4 0.0 0.0
815 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
816 3.1 106.4 0.2 407.4 40053.6 0.0 17.4 0.0 0.0
816 4.9 24.8 0.6 592.4 7348.1 0.0 25.3 0.0 0.0
817 3.0 56.7 0.2 251.2 41284.9 0.0 10.9 0.0 0.0
817 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
818 3.1 56.1 0.2 416.5 40935.0 0.0 17.6 0.0 0.0
818 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
819 3.1 56.8 0.2 413.9 41117.8 0.0 17.7 0.0 0.0
819 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
820 3.1 55.9 0.2 415.4 41313.0 0.0 17.6 0.0 0.0
820 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
821 3.1 56.3 0.2 413.7 40915.5 0.0 17.6 0.0 0.0
821 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
822 3.1 56.1 0.2 414.9 40693.0 0.0 17.6 0.0 0.0
822 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
823 3.1 57.2 0.2 417.4 41497.9 0.0 17.6 0.0 0.0
823 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
824 3.1 54.9 0.2 414.0 40206.4 0.0 17.6 0.0 0.0
824 4.9 12.7 0.6 604.4 7347.4 0.0 25.7 0.0 0.0
825 3.0 56.7 0.2 251.5 41560.2 0.0 7.9 0.0 0.0
825 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
826 3.1 55.8 0.2 414.6 41068.4 0.0 13.0 0.0 0.0
826 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
827 3.1 56.7 0.2 416.5 41323.5 0.0 13.0 0.0 0.0
827 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
828 3.1 55.9 0.2 415.6 41444.9 0.0 11.8 0.0 0.0
828 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
829 3.1 56.2 0.2 414.8 41246.1 0.0 13.0 0.0 0.0
829 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
830 3.1 56.1 0.2 412.5 41056.6 0.0 12.9 0.0 0.0
830 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
831 3.1 57.1 0.2 414.8 41653.1 0.0 13.0 0.0 0.0
831 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
832 3.1 55.0 0.2 415.5 40373.6 0.0 13.0 0.0 0.0
832 4.9 12.7 0.6 604.4 7354.4 0.0 18.9 0.0 0.0
833 3.0 56.5 0.2 251.5 41522.2 0.0 5.0 0.0 0.0
833 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
834 3.1 55.9 0.2 414.4 41192.5 0.0 8.4 0.0 0.0
834 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
835 3.1 56.6 0.2 416.5 41305.2 0.0 8.4 0.0 0.0
835 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
836 3.1 55.8 0.2 415.5 41472.6 0.0 8.4 0.0 0.0
836 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
837 3.1 55.9 0.2 413.8 41170.1 0.0 8.4 0.0 0.0
837 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
838 3.1 56.1 0.2 416.3 41110.3 0.0 8.4 0.0 0.0
838 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
839 3.1 56.8 0.2 414.7 41726.5 0.0 8.4 0.0 0.0
839 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
840 3.0 54.9 0.2 415.5 40320.2 0.0 8.4 0.0 0.0
840 4.9 12.6 0.6 604.5 7361.1 0.0 12.2 0.0 0.0
841 3.0 108.7 0.2 246.8 41259.5 0.0 10.4 0.0 0.0
841 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
842 3.1 107.4 0.2 405.8 40816.9 0.0 17.2 0.0 0.0
842 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
843 3.1 108.7 0.2 406.1 40912.3 0.0 17.2 0.0 0.0
843 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
844 3.1 107.3 0.2 407.4 41130.6 0.0 17.2 0.0 0.0
844 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
845 3.1 107.8 0.2 407.5 40820.3 0.0 17.2 0.0 0.0
845 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
846 3.1 107.7 0.2 406.1 40722.1 0.0 17.1 0.0 0.0
846 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
847 3.1 109.7 0.2 402.5 41409.5 0.0 17.1 0.0 0.0
847 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
848 3.1 105.7 0.2 406.2 40051.1 0.0 17.2 0.0 0.0
848 4.9 24.6 0.6 592.5 7348.1 0.0 25.0 0.0 0.0
849 3.0 111.2 0.2 243.5 41090.0 0.0 10.8 0.0 0.0
849 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
850 3.1 109.7 0.2 406.1 40785.5 0.0 17.8 0.0 0.0
850 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
851 3.1 111.3 0.2 406.5 40955.0 0.0 17.9 0.0 0.0
851 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
852 3.1 109.7 0.2 407.1 41133.3 0.0 17.9 0.0 0.0
852 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
853 3.1 110.3 0.2 404.5 40786.7 0.0 17.8 0.0 0.0
853 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
854 3.1 110.3 0.2 406.4 40760.2 0.0 17.8 0.0 0.0
854 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
855 3.1 112.0 0.2 407.7 41424.0 0.0 17.8 0.0 0.0
855 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
856 3.1 108.1 0.2 404.9 39985.4 0.0 17.8 0.0 0.0
856 4.9 24.9 0.6 592.2 7347.4 0.0 26.0 0.0 0.0
857 3.1 111.0 0.2 247.1 41136.8 0.0 10.5 0.0 0.0
857 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
858 3.1 109.8 0.2 407.9 40859.3 0.0 17.3 0.0 0.0
858 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
859 3.1 111.3 0.2 405.5 40882.5 0.0 17.2 0.0 0.0
859 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
860 3.1 109.6 0.2 405.3 41254.9 0.0 17.3 0.0 0.0
860 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
861 3.1 110.1 0.2 405.5 40777.6 0.0 17.3 0.0 0.0
861 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
862 3.1 110.0 0.2 408.4 40663.7 0.0 17.3 0.0 0.0
862 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
863 3.1 111.3 0.2 403.7 41344.3 0.0 17.3 0.0 0.0
863 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
864 3.1 108.0 0.2 405.1 40213.7 0.0 17.2 0.0 0.0
864 4.9 25.0 0.6 592.1 7348.1 0.0 25.2 0.0 0.0
865 3.0 57.5 0.2 247.7 41049.0 0.0 10.6 0.0 0.0
865 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
866 3.1 56.8 0.2 412.7 40754.8 0.0 17.6 0.0 0.0
866 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
867 3.1 57.5 0.2 411.2 40820.9 0.0 17.5 0.0 0.0
867 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
868 3.1 56.7 0.2 411.6 41175.1 0.0 17.5 0.0 0.0
868 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
869 3.1 57.0 0.2 407.6 40677.3 0.0 17.5 0.0 0.0
869 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
870 3.1 57.0 0.2 409.3 40602.8 0.0 17.5 0.0 0.0
870 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
871 3.1 58.0 0.2 413.0 41291.4 0.0 17.4 0.0 0.0
871 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
872 3.1 56.0 0.2 412.4 40017.7 0.0 17.5 0.0 0.0
872 4.9 12.7 0.6 604.4 7347.7 0.0 25.7 0.0 0.0
873 3.2 55.5 0.2 251.5 41284.5 0.0 10.8 0.0 0.0
873 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
874 3.2 55.0 0.2 416.3 40923.9 0.0 17.7 0.0 0.0
874 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
875 3.2 55.7 0.2 415.4 40947.3 0.0 17.7 0.0 0.0
875 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
876 3.2 55.0 0.2 416.1 41409.4 0.0 17.7 0.0 0.0
876 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
877 3.2 55.2 0.2 415.4 40947.6 0.0 17.7 0.0 0.0
877 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
878 3.1 55.1 0.2 412.5 40889.2 0.0 17.8 0.0 0.0
878 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
879 3.2 56.0 0.2 413.7 41369.9 0.0 17.8 0.0 0.0
879 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
880 3.2 54.2 0.2 415.9 40085.5 0.0 17.6 0.0 0.0
880 4.9 12.6 0.6 604.6 7347.6 0.0 25.8 0.0 0.0
881 3.1 56.8 0.2 251.5 41300.0 0.0 10.9 0.0 0.0
881 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
882 3.1 55.7 0.2 413.5 40872.6 0.0 17.9 0.0 0.0
882 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
883 3.1 56.7 0.2 414.8 41013.3 0.0 18.0 0.0 0.0
883 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
884 3.1 55.9 0.2 415.7 41171.5 0.0 17.9 0.0 0.0
884 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
885 3.1 56.2 0.2 414.6 40857.6 0.0 18.0 0.0 0.0
885 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
886 3.1 55.7 0.2 412.0 40859.0 0.0 17.9 0.0 0.0
886 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
887 3.1 57.1 0.2 416.1 41420.1 0.0 18.0 0.0 0.0
887 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
888 3.1 55.0 0.2 412.7 40079.5 0.0 18.0 0.0 0.0
888 4.9 12.6 0.6 604.5 7347.1 0.0 26.2 0.0 0.0
889 3.0 55.1 0.2 252.4 41101.8 0.0 11.0 0.0 0.0
889 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
890 3.1 54.5 0.2 415.4 40801.5 0.0 18.0 0.0 0.0
890 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
891 3.1 55.1 0.2 414.5 40798.8 0.0 18.2 0.0 0.0
891 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
892 3.1 54.3 0.2 413.2 41147.1 0.0 18.1 0.0 0.0
892 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
893 3.1 54.7 0.2 414.8 40741.6 0.0 18.1 0.0 0.0
893 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
894 3.1 54.5 0.2 413.1 40778.1 0.0 18.1 0.0 0.0
894 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
895 3.1 55.6 0.2 414.5 41286.3 0.0 18.1 0.0 0.0
895 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
896 3.1 53.6 0.2 414.6 39897.0 0.0 18.0 0.0 0.0
896 4.9 12.4 0.6 604.8 7347.0 0.0 26.3 0.0 0.0
897 3.0 55.9 0.2 249.5 41048.1 0.0 10.3 0.0 0.0
897 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
898 3.1 55.1 0.2 415.0 40827.9 0.0 17.1 0.0 0.0
898 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
899 3.1 55.8 0.2 415.5 40811.7 0.0 17.0 0.0 0.0
899 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
900 3.1 55.0 0.2 414.3 40986.0 0.0 17.0 0.0 0.0
900 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
901 3.1 55.3 0.2 414.8 40654.2 0.0 17.0 0.0 0.0
901 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
902 3.1 55.3 0.2 415.3 40535.8 0.0 17.1 0.0 0.0
902 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
903 3.2 56.2 0.2 414.8 41289.4 0.0 17.0 0.0 0.0
903 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
904 3.1 54.2 0.2 416.9 39849.3 0.0 17.0 0.0 0.0
904 4.9 12.5 0.6 604.6 7348.5 0.0 24.8 0.0 0.0
905 3.0 60.4 0.2 253.0 41333.4 0.0 10.9 0.0 0.0
905 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
906 3.1 59.9 0.2 414.1 41043.3 0.0 18.1 0.0 0.0
906 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
907 3.1 60.5 0.2 413.8 41078.4 0.0 18.1 0.0 0.0
907 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
908 3.1 59.6 0.2 416.5 41306.7 0.0 18.2 0.0 0.0
908 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
909 3.1 59.7 0.2 414.4 40965.5 0.0 18.2 0.0 0.0
909 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
910 3.1 59.7 0.2 413.6 40863.7 0.0 18.2 0.0 0.0
910 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
911 3.1 60.9 0.2 414.0 41387.5 0.0 18.1 0.0 0.0
911 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
912 3.1 58.7 0.2 413.1 40233.1 0.0 18.1 0.0 0.0
912 4.9 13.3 0.6 603.9 7346.9 0.0 26.4 0.0 0.0
913 3.0 55.1 0.2 252.2 41349.0 0.0 8.7 0.0 0.0
913 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
914 3.1 54.5 0.2 417.0 40959.2 0.0 14.4 0.0 0.0
914 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
915 3.1 55.3 0.2 414.5 41083.1 0.0 14.5 0.0 0.0
915 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
916 3.1 54.3 0.2 413.4 41312.7 0.0 14.4 0.0 0.0
916 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
917 3.1 54.7 0.2 414.2 40959.9 0.0 14.4 0.0 0.0
917 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
918 3.1 54.7 0.2 414.2 40830.9 0.0 14.4 0.0 0.0
918 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
919 3.1 55.6 0.2 410.6 41568.9 0.0 14.4 0.0 0.0
919 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
920 3.1 53.6 0.2 414.0 40160.3 0.0 14.5 0.0 0.0
920 4.9 12.4 0.6 604.8 7352.3 0.0 21.0 0.0 0.0
921 3.0 57.7 0.2 255.6 41424.4 0.0 10.7 0.0 0.0
921 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
922 3.1 57.2 0.2 415.4 41128.8 0.0 17.3 0.0 0.0
922 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
923 3.1 57.9 0.2 413.4 41142.1 0.0 17.5 0.0 0.0
923 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
924 3.1 57.0 0.2 415.5 41381.3 0.0 17.4 0.0 0.0
924 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
925 3.1 57.3 0.2 413.4 40976.5 0.0 17.4 0.0 0.0
925 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
926 3.1 57.3 0.2 415.2 41024.8 0.0 17.2 0.0 0.0
926 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
927 3.1 58.3 0.2 415.2 41451.9 0.0 17.3 0.0 0.0
927 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
928 3.1 56.3 0.2 414.4 40344.9 0.0 17.5 0.0 0.0
928 4.9 13.0 0.6 604.1 7347.9 0.0 25.3 0.0 0.0
929 3.0 57.8 0.2 251.3 41416.9 0.0 11.0 0.0 0.0
929 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
930 3.1 57.2 0.2 415.0 41037.3 0.0 18.3 0.0 0.0
930 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
931 3.1 58.0 0.2 415.4 40990.8 0.0 18.2 0.0 0.0
931 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
932 3.1 57.2 0.2 414.7 41257.6 0.0 18.3 0.0 0.0
932 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
933 3.1 57.5 0.2 413.3 40962.9 0.0 18.2 0.0 0.0
933 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
934 3.1 57.5 0.2 414.6 40846.0 0.0 18.3 0.0 0.0
934 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
935 3.1 58.4 0.2 414.3 41602.2 0.0 18.3 0.0 0.0
935 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
936 3.1 56.1 0.2 413.9 40205.5 0.0 18.2 0.0 0.0
936 4.9 12.9 0.6 604.3 7346.8 0.0 26.6 0.0 0.0
937 3.0 109.0 0.2 252.3 41411.4 0.0 11.1 0.0 0.0
937 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
938 3.0 107.9 0.2 407.1 40856.1 0.0 18.0 0.0 0.0
938 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
939 3.1 109.4 0.2 405.7 41051.8 0.0 17.9 0.0 0.0
939 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
940 3.1 107.7 0.2 407.6 41253.4 0.0 18.0 0.0 0.0
940 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
941 3.1 108.3 0.2 407.0 40969.9 0.0 18.1 0.0 0.0
941 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
942 3.1 108.2 0.2 406.4 40787.8 0.0 18.0 0.0 0.0
942 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
943 3.1 110.1 0.2 407.2 41469.5 0.0 18.0 0.0 0.0
943 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
944 3.1 106.2 0.2 405.3 40176.8 0.0 18.0 0.0 0.0
944 4.9 24.7 0.6 592.5 7347.1 0.0 26.3 0.0 0.0
945 3.0 57.6 0.2 248.5 41423.5 0.0 10.7 0.0 0.0
945 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
946 3.1 57.2 0.2 414.1 41191.0 0.0 17.6 0.0 0.0
946 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
947 3.1 58.0 0.2 413.8 41263.4 0.0 17.6 0.0 0.0
947 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
948 3.1 57.1 0.2 415.4 41313.4 0.0 17.5 0.0 0.0
948 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
949 3.1 57.5 0.2 415.4 41052.6 0.0 17.6 0.0 0.0
949 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
950 3.1 57.4 0.2 414.9 40994.1 0.0 17.5 0.0 0.0
950 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
951 3.1 58.3 0.2 416.5 41497.4 0.0 17.7 0.0 0.0
951 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
952 3.1 56.3 0.2 410.7 40201.0 0.0 17.2 0.0 0.0
952 4.9 12.8 0.6 604.4 7347.8 0.0 25.5 0.0 0.0
953 3.0 106.7 0.2 242.4 41039.8 0.0 11.0 0.0 0.0
953 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
954 3.1 105.6 0.2 406.8 40543.4 0.0 17.9 0.0 0.0
954 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
955 3.0 107.0 0.2 407.3 40746.0 0.0 17.9 0.0 0.0
955 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
956 3.1 105.5 0.2 406.6 40897.3 0.0 17.9 0.0 0.0
956 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
957 3.1 106.1 0.2 406.6 40712.0 0.0 17.9 0.0 0.0
957 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
958 3.0 106.0 0.2 400.9 40462.7 0.0 17.8 0.0 0.0
958 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
959 3.1 107.8 0.2 406.3 41152.3 0.0 17.9 0.0 0.0
959 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
960 3.1 104.0 0.2 406.4 39794.4 0.0 17.9 0.0 0.0
960 4.9 24.3 0.6 592.8 7347.1 0.0 26.0 0.0 0.0
961 3.0 107.8 0.2 247.8 41323.6 0.0 10.4 0.0 0.0
961 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
962 3.1 106.5 0.2 404.6 40957.8 0.0 17.3 0.0 0.0
962 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
963 3.1 107.8 0.2 405.8 40937.4 0.0 17.4 0.0 0.0
963 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
964 3.1 106.3 0.2 405.5 41263.0 0.0 17.3 0.0 0.0
964 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
965 3.1 106.8 0.2 406.4 40911.3 0.0 17.2 0.0 0.0
965 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
966 3.1 106.7 0.2 403.7 40709.3 0.0 17.3 0.0 0.0
966 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
967 3.1 108.5 0.2 405.5 41382.5 0.0 17.3 0.0 0.0
967 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
968 3.1 104.6 0.2 405.5 40167.3 0.0 17.3 0.0 0.0
968 4.9 24.4 0.6 592.7 7348.2 0.0 25.2 0.0 0.0
969 3.0 110.2 0.2 245.8 41598.5 0.0 2.4 0.0 0.0
969 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
970 3.1 108.8 0.2 406.8 41070.7 0.0 3.9 0.0 0.0
970 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
971 3.1 110.3 0.2 406.5 41236.6 0.0 3.9 0.0 0.0
971 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
972 3.1 108.7 0.2 403.5 41377.8 0.0 3.9 0.0 0.0
972 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
973 3.1 109.2 0.2 405.8 41147.9 0.0 3.9 0.0 0.0
973 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
974 3.1 109.2 0.2 406.6 41048.4 0.0 3.9 0.0 0.0
974 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
975 3.1 111.1 0.2 405.6 41677.1 0.0 3.9 0.0 0.0
975 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
976 3.1 107.4 0.2 403.5 40417.0 0.0 3.9 0.0 0.0
976 4.9 24.8 0.6 592.3 7367.3 0.0 5.7 0.0 0.0
977 3.3 55.5 0.2 245.4 41161.9 0.0 10.6 0.0 0.0
977 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
978 3.2 54.8 0.2 414.3 40943.2 0.0 17.6 0.0 0.0
978 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
979 3.2 55.4 0.2 414.0 40854.7 0.0 17.7 0.0 0.0
979 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
980 3.2 54.6 0.2 415.3 41308.9 0.0 17.6 0.0 0.0
980 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
981 3.2 54.9 0.2 415.7 40862.9 0.0 17.6 0.0 0.0
981 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
982 3.2 54.9 0.2 414.4 40684.6 0.0 17.6 0.0 0.0
982 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
983 3.2 55.9 0.2 413.7 41558.9 0.0 17.6 0.0 0.0
983 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
984 3.2 53.8 0.2 413.1 39969.5 0.0 17.6 0.0 0.0
984 4.9 12.4 0.6 604.7 7347.4 0.0 25.7 0.0 0.0
985 3.2 55.3 0.2 251.1 41370.4 0.0 10.9 0.0 0.0
985 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
986 3.2 54.7 0.2 415.0 41124.4 0.0 17.9 0.0 0.0
986 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
987 3.2 55.5 0.2 414.1 41258.1 0.0 17.8 0.0 0.0
987 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
988 3.2 54.6 0.2 413.2 41345.8 0.0 17.8 0.0 0.0
988 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
989 3.2 54.8 0.2 410.2 41090.4 0.0 17.8 0.0 0.0
989 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
990 3.2 54.8 0.2 414.8 40897.5 0.0 17.9 0.0 0.0
990 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
991 3.2 55.8 0.2 415.0 41533.8 0.0 17.8 0.0 0.0
991 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
992 3.2 53.6 0.2 413.2 40128.7 0.0 17.8 0.0 0.0
992 4.9 12.5 0.6 604.6 7347.1 0.0 26.0 0.0 0.0
993 3.1 57.0 0.2 248.9 41238.3 0.0 10.6 0.0 0.0
993 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
994 3.1 56.4 0.2 414.4 40847.1 0.0 17.5 0.0 0.0
994 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
995 3.1 56.9 0.2 415.8 41118.9 0.0 17.5 0.0 0.0
995 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
996 3.1 56.2 0.2 413.2 41195.3 0.0 17.5 0.0 0.0
996 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
997 3.1 56.5 0.2 414.8 40917.3 0.0 17.5 0.0 0.0
997 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
998 3.1 56.5 0.2 415.6 40834.8 0.0 17.5 0.0 0.0
998 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
999 3.1 57.3 0.2 416.4 41433.3 0.0 17.6 0.0 0.0
999 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
1000 3.1 55.2 0.2 414.1 40314.6 0.0 17.5 0.0 0.0
1000 4.9 13.3 0.6 603.8 7347.5 0.0 25.5 0.0 0.0
1001 3.0 58.8 0.2 251.4 41448.1 0.0 10.4 0.0 0.0
1001 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1002 3.1 58.2 0.2 414.0 41016.0 0.0 17.3 0.0 0.0
1002 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1003 3.1 58.8 0.2 415.3 41213.8 0.0 17.3 0.0 0.0
1003 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1004 3.1 58.1 0.2 415.0 41467.0 0.0 17.4 0.0 0.0
1004 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1005 3.1 58.5 0.2 417.1 41081.3 0.0 17.3 0.0 0.0
1005 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1006 3.1 58.2 0.2 413.0 41061.6 0.0 17.2 0.0 0.0
1006 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1007 3.0 58.9 0.2 410.7 41597.8 0.0 17.2 0.0 0.0
1007 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1008 3.1 57.3 0.2 412.4 40278.8 0.0 17.3 0.0 0.0
1008 4.9 13.1 0.6 604.1 7347.9 0.0 25.2 0.0 0.0
1009 3.0 58.4 0.2 249.6 41319.4 0.0 10.8 0.0 0.0
1009 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1010 3.1 57.6 0.2 401.4 40960.0 0.0 17.6 0.0 0.0
1010 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1011 3.1 58.4 0.2 415.0 41005.6 0.0 18.0 0.0 0.0
1011 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1012 3.1 57.6 0.2 415.3 41285.7 0.0 18.0 0.0 0.0
1012 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1013 3.1 57.9 0.2 413.9 40917.3 0.0 18.0 0.0 0.0
1013 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1014 3.1 57.8 0.2 415.4 40827.4 0.0 18.0 0.0 0.0
1014 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1015 3.1 58.8 0.2 413.4 41548.6 0.0 18.0 0.0 0.0
1015 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1016 3.1 56.7 0.2 413.8 39990.7 0.0 18.1 0.0 0.0
1016 4.9 12.9 0.6 604.2 7346.8 0.0 26.3 0.0 0.0
1017 3.0 55.5 0.2 252.6 41185.7 0.0 10.9 0.0 0.0
1017 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
1018 3.1 55.0 0.2 414.7 40799.0 0.0 18.1 0.0 0.0
1018 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
1019 3.1 55.6 0.2 411.6 40981.9 0.0 18.0 0.0 0.0
1019 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
1020 3.1 54.4 0.2 414.6 41104.3 0.0 18.0 0.0 0.0
1020 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
1021 3.1 55.0 0.2 414.4 40873.4 0.0 18.0 0.0 0.0
1021 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
1022 3.1 54.9 0.2 414.8 40837.8 0.0 18.1 0.0 0.0
1022 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
1023 3.1 55.9 0.2 414.5 41449.9 0.0 17.9 0.0 0.0
1023 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
1024 3.1 54.0 0.2 411.2 40044.0 0.0 18.0 0.0 0.0
1024 4.9 12.5 0.6 604.6 7346.8 0.0 26.2 0.0 0.0
averaged 3.1 161.2 0.2 381.7 41010.1 0.0 14.5 0.0 0.0
averaged 4.9 31.2 0.6 585.9 7351.0 0.0 22.2 0.0 0.0
1079134764 WORDS OF DYNAMIC MEMORY USED
EXECUTION OF GAMESS TERMINATED NORMALLY 03:48:16 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: 1176369480 bytes (1121.9 MB / 140 MWords) used by master data server.
----------------------------------------
CPU timing information for all processes
========================================
0: 44030.500 + 173.65 = 44203.565
1: 43713.400 + 152.480 = 43865.881
2: 44058.507 + 129.586 = 44188.93
3: 44075.231 + 134.541 = 44209.773
4: 43850.171 + 159.03 = 44009.175
5: 43783.737 + 149.375 = 43933.113
6: 44286.893 + 114.709 = 44401.603
7: 42955.462 + 194.193 = 43149.656
8: 41900.536 + 449.161 = 42349.698
9: 41722.730 + 282.991 = 42005.721
10: 41708.06 + 292.155 = 42000.162
11: 41972.197 + 269.113 = 42241.311
12: 41724.818 + 280.300 = 42005.118
13: 41589.316 + 286.481 = 41875.797
14: 42186.128 + 250.303 = 42436.432
15: 40836.438 + 329.357 = 41165.796
16: 41815.526 + 448.774 = 42264.300
17: 41653.892 + 283.365 = 41937.258
18: 41745.951 + 283.651 = 42029.603
19: 42124.121 + 259.868 = 42383.989
20: 41588.590 + 284.328 = 41872.919
21: 41586.727 + 292.739 = 41879.467
22: 42168.54 + 255.434 = 42423.488
23: 41037.478 + 326.280 = 41363.758
24: 41484.738 + 458.456 = 41943.194
25: 41285.185 + 308.888 = 41594.73
26: 41393.99 + 308.430 = 41701.529
27: 41589.668 + 298.706 = 41888.375
28: 41290.870 + 309.983 = 41600.854
29: 41236.124 + 308.684 = 41544.809
30: 41749.133 + 282.438 = 42031.572
31: 40463.527 + 357.708 = 40821.235
32: 41493.462 + 465.86 = 41958.549
33: 41354.442 + 318.816 = 41673.259
34: 41383.191 + 373.892 = 41757.83
35: 41572.942 + 297.282 = 41870.225
36: 41323.344 + 334.126 = 41657.471
37: 41158.934 + 372.473 = 41531.407
38: 41764.700 + 343.225 = 42107.926
39: 40393.634 + 377.787 = 40771.421
40: 41700.232 + 444.84 = 42144.317
41: 41502.496 + 295.203 = 41797.700
42: 41571.811 + 292.64 = 41863.875
43: 41803.199 + 280.282 = 42083.482
44: 41399.57 + 297.260 = 41696.318
45: 41351.669 + 304.201 = 41655.871
46: 41924.937 + 265.884 = 42190.822
47: 40615.540 + 349.357 = 40964.897
48: 41810.199 + 444.569 = 42254.769
49: 41652.480 + 292.741 = 41945.222
50: 41630.865 + 289.903 = 41920.769
51: 41966.818 + 269.996 = 42236.815
52: 41590.253 + 297.454 = 41887.707
53: 41562.693 + 307.193 = 41869.887
54: 42198.477 + 254.374 = 42452.851
55: 40817.24 + 331.732 = 41148.756
56: 41743.886 + 445.297 = 42189.184
57: 41675.60 + 286.638 = 41961.699
58: 41469.374 + 297.550 = 41766.925
59: 42011.93 + 263.997 = 42275.91
60: 41315.224 + 302.492 = 41617.716
61: 41417.899 + 305.574 = 41723.474
62: 42012.111 + 266.680 = 42278.792
63: 40781.86 + 342.576 = 41123.663
64: 41374.462 + 465.49 = 41839.512
65: 41236.419 + 322.859 = 41559.279
66: 41251.194 + 318.799 = 41569.993
67: 41523.867 + 298.233 = 41822.100
68: 41182.63 + 373.641 = 41555.705
69: 41033.745 + 351.262 = 41385.08
70: 41713.584 + 278.152 = 41991.737
71: 40350.866 + 361.721 = 40712.588
72: 41772.506 + 443.190 = 42215.697
73: 41395.755 + 307.269 = 41703.24
74: 41589.146 + 295.653 = 41884.799
75: 41853.271 + 281.705 = 42134.976
76: 41559.56 + 295.799 = 41854.855
77: 41434.319 + 306.84 = 41740.404
78: 42047.843 + 262.857 = 42310.700
79: 40675.519 + 352.438 = 41027.958
80: 41504.678 + 449.981 = 41954.660
81: 41118.227 + 325.955 = 41444.183
82: 41273.07 + 312.865 = 41585.873
83: 41647.371 + 287.897 = 41935.269
84: 41215.413 + 381.353 = 41596.767
85: 41148.283 + 321.229 = 41469.512
86: 41640.487 + 316.360 = 41956.847
87: 40417.994 + 365.361 = 40783.355
88: 41546.618 + 455.925 = 42002.543
89: 41401.404 + 297.906 = 41699.310
90: 41352.584 + 301.993 = 41654.577
91: 41641.475 + 289.645 = 41931.121
92: 41401.705 + 297.265 = 41698.970
93: 41325.957 + 300.892 = 41626.850
94: 41792.863 + 273.397 = 42066.260
95: 40568.221 + 353.206 = 40921.428
96: 41655.563 + 457.154 = 42112.718
97: 41429.847 + 297.470 = 41727.318
98: 41582.74 + 289.938 = 41872.13
99: 41837.27 + 269.723 = 42106.750
100: 41400.28 + 301.433 = 41701.461
101: 41456.320 + 305.501 = 41761.821
102: 41893.908 + 268.823 = 42162.732
103: 40714.709 + 337.274 = 41051.984
104: 41442.90 + 461.241 = 41903.332
105: 41349.435 + 316.913 = 41666.349
106: 41431.03 + 307.735 = 41738.739
107: 41744.59 + 286.890 = 42030.949
108: 41324.187 + 363.830 = 41688.17
109: 41156.56 + 340.176 = 41496.233
110: 41798.150 + 283.362 = 42081.513
111: 40510.594 + 356.443 = 40867.37
112: 41670.508 + 469.263 = 42139.772
113: 41630.30 + 299.905 = 41929.935
114: 41648.440 + 295.150 = 41943.590
115: 41779.995 + 289.955 = 42069.951
116: 41573.977 + 337.316 = 41911.294
117: 41288.175 + 321.863 = 41610.39
118: 41959.330 + 272.666 = 42231.996
119: 40682.476 + 387.11 = 41069.487
120: 41963.733 + 446.144 = 42409.877
121: 41757.128 + 278.925 = 42036.54
122: 41870.992 + 276.783 = 42147.776
123: 42250.990 + 259.519 = 42510.510
124: 41809.701 + 278.198 = 42087.899
125: 41671.503 + 285.870 = 41957.373
126: 42186.505 + 251.586 = 42438.92
127: 40940.872 + 327.647 = 41268.519
128: 43542.508 + 236.872 = 43779.380
129: 43201.588 + 194.751 = 43396.340
130: 43244.835 + 187.516 = 43432.351
131: 43400.838 + 169.377 = 43570.215
132: 43205.335 + 181.340 = 43386.675
133: 43114.827 + 194.45 = 43308.872
134: 43792.461 + 145.358 = 43937.819
135: 42388.687 + 230.967 = 42619.654
136: 41871.328 + 445.925 = 42317.253
137: 41692.811 + 290.939 = 41983.751
138: 41803.94 + 278.675 = 42081.770
139: 42079.512 + 256.816 = 42336.329
140: 41695.16 + 286.375 = 41981.391
141: 41610.975 + 297.59 = 41908.35
142: 42187.78 + 250.154 = 42437.233
143: 40958.936 + 320.887 = 41279.824
144: 41894.992 + 447.388 = 42342.381
145: 41528.795 + 299.174 = 41827.969
146: 41623.756 + 317.944 = 41941.701
147: 41860.418 + 317.608 = 42178.26
148: 41522.115 + 381.191 = 41903.307
149: 41400.829 + 310.910 = 41711.740
150: 42070.762 + 346.129 = 42416.891
151: 40748.832 + 345.402 = 41094.234
152: 41740.138 + 524.417 = 42264.556
153: 41614.567 + 295.312 = 41909.880
154: 41589.310 + 293.143 = 41882.453
155: 41886.59 + 273.799 = 42159.858
156: 41549.426 + 348.55 = 41897.481
157: 41456.812 + 298.820 = 41755.633
158: 42001.753 + 300.655 = 42302.408
159: 40715.187 + 346.195 = 41061.383
160: 41739.264 + 449.201 = 42188.466
161: 41547.297 + 304.94 = 41851.391
162: 41704.467 + 290.277 = 41994.744
163: 41917.113 + 292.760 = 42209.873
164: 41600.766 + 293.68 = 41893.835
165: 41430.952 + 324.962 = 41755.915
166: 42069.799 + 259.473 = 42329.272
167: 40704.795 + 340.824 = 41045.620
168: 41689.42 + 457.476 = 42146.519
169: 41580.55 + 307.56 = 41887.112
170: 41787.709 + 289.660 = 42077.370
171: 41814.683 + 315.210 = 42129.894
172: 41530.234 + 478.592 = 42008.826
173: 41445.635 + 309.225 = 41754.860
174: 41980.705 + 337.603 = 42318.309
175: 40689.46 + 347.185 = 41036.231
176: 42041.119 + 406.691 = 42447.810
177: 41880.914 + 265.66 = 42145.981
178: 41873.571 + 261.315 = 42134.887
179: 42190.829 + 241.983 = 42432.812
180: 41822.735 + 283.263 = 42105.998
181: 41790.637 + 267.387 = 42058.25
182: 42385.532 + 228.584 = 42614.117
183: 41035.434 + 310.04 = 41345.439
184: 41869.814 + 442.244 = 42312.58
185: 41677.902 + 291.885 = 41969.788
186: 41773.384 + 285.515 = 42058.900
187: 42010.797 + 272.226 = 42283.23
188: 41679.134 + 288.811 = 41967.946
189: 41496.199 + 308.522 = 41804.722
190: 42052.905 + 267.217 = 42320.123
191: 40845.513 + 336.893 = 41182.406
192: 41645.643 + 548.700 = 42194.343
193: 41495.140 + 308.517 = 41803.657
194: 41553.819 + 303.669 = 41857.488
195: 41897.179 + 280.376 = 42177.556
196: 41466.181 + 340.560 = 41806.741
197: 41341.993 + 348.314 = 41690.308
198: 42017.611 + 264.77 = 42281.689
199: 40708.445 + 339.632 = 41048.77
200: 41648.504 + 448.982 = 42097.486
201: 41507.537 + 313.529 = 41821.67
202: 41553.906 + 304.824 = 41858.730
203: 41643.394 + 370.519 = 42013.913
204: 41375.841 + 316.25 = 41691.866
205: 41214.119 + 339.544 = 41553.664
206: 41909.158 + 310.582 = 42219.741
207: 40590.588 + 356.317 = 40946.906
208: 41779.68 + 454.743 = 42233.811
209: 41649.537 + 304.296 = 41953.834
210: 41692.806 + 295.427 = 41988.234
211: 42050.806 + 332.905 = 42383.712
212: 41744.959 + 394.914 = 42139.874
213: 41581.504 + 298.280 = 41879.785
214: 42124.431 + 292.437 = 42416.868
215: 40768.339 + 344.936 = 41113.276
216: 41796.631 + 456.32 = 42252.663
217: 41694.812 + 291.519 = 41986.332
218: 41818.732 + 286.865 = 42105.598
219: 42006.50 + 303.174 = 42309.224
220: 41624.69 + 289.548 = 41913.618
221: 41564.85 + 291.159 = 41855.245
222: 42169.362 + 253.480 = 42422.843
223: 40921.685 + 325.641 = 41247.326
224: 41585.281 + 462.992 = 42048.274
225: 41533.836 + 296.94 = 41829.930
226: 41598.830 + 296.442 = 41895.272
227: 41860.737 + 280.319 = 42141.57
228: 41611.58 + 287.612 = 41898.671
229: 41379.129 + 308.635 = 41687.765
230: 42038.854 + 263.583 = 42302.437
231: 40729.217 + 343.543 = 41072.761
232: 41420.688 + 463.409 = 41884.97
233: 41125.927 + 335.885 = 41461.813
234: 41201.322 + 352.165 = 41553.488
235: 41505.743 + 295.772 = 41801.515
236: 41212.746 + 384.356 = 41597.102
237: 40991.805 + 404.803 = 41396.609
238: 41668.603 + 337.523 = 42006.127
239: 40358.523 + 398.889 = 40757.412
240: 41738.281 + 435.382 = 42173.663
241: 41311.710 + 314.134 = 41625.844
242: 41349.535 + 311.129 = 41660.665
243: 41784.955 + 280.418 = 42065.373
244: 41287.255 + 313.998 = 41601.254
245: 41238.401 + 313.366 = 41551.767
246: 41808.832 + 278.474 = 42087.306
247: 40594.205 + 354.83 = 40948.288
248: 41576.904 + 472.364 = 42049.269
249: 41339.316 + 305.849 = 41645.166
250: 41485.484 + 300.631 = 41786.115
251: 41740.546 + 276.263 = 42016.809
252: 41411.767 + 302.712 = 41714.480
253: 41240.926 + 312.374 = 41553.300
254: 41924.323 + 271.789 = 42196.112
255: 40639.522 + 348.703 = 40988.226
256: 41508.296 + 449.789 = 41958.86
257: 41290.816 + 306.995 = 41597.811
258: 41269.684 + 309.964 = 41579.649
259: 41626.707 + 291.300 = 41918.08
260: 41359.434 + 303.648 = 41663.83
261: 41117.341 + 329.424 = 41446.765
262: 41725.733 + 283.875 = 42009.609
263: 40447.386 + 353.949 = 40801.335
264: 41508.179 + 461.776 = 41969.955
265: 41325.428 + 313.941 = 41639.369
266: 41492.291 + 303.915 = 41796.206
267: 41755.648 + 284.208 = 42039.856
268: 41326.676 + 311.127 = 41637.804
269: 41303.700 + 314.559 = 41618.259
270: 41793.35 + 285.768 = 42078.803
271: 40571.958 + 356.670 = 40928.629
272: 41989.944 + 431.98 = 42421.42
273: 41885.345 + 284.410 = 42169.755
274: 41894.93 + 273.468 = 42167.562
275: 42135.08 + 263.532 = 42398.540
276: 41764.306 + 283.45 = 42047.351
277: 41579.485 + 294.607 = 41874.93
278: 42204.723 + 250.15 = 42454.738
279: 40946.434 + 323.429 = 41269.863
280: 41869.141 + 442.648 = 42311.790
281: 41622.373 + 294.943 = 41917.317
282: 41869.706 + 277.814 = 42147.521
283: 41979.154 + 267.910 = 42247.65
284: 41614.933 + 295.52 = 41909.986
285: 41598.279 + 328.830 = 41927.109
286: 42142.828 + 258.632 = 42401.461
287: 40830.577 + 355.130 = 41185.707
288: 41622.679 + 459.08 = 42081.688
289: 41397.855 + 315.863 = 41713.719
290: 41454.563 + 300.47 = 41754.610
291: 41660.441 + 295.438 = 41955.880
292: 41316.367 + 321.136 = 41637.504
293: 41201.510 + 322.371 = 41523.882
294: 41906.93 + 270.750 = 42176.844
295: 40613.586 + 378.938 = 40992.524
296: 41708.299 + 457.155 = 42165.455
297: 41587.325 + 288.836 = 41876.161
298: 41595.946 + 294.618 = 41890.565
299: 41833.848 + 279.824 = 42113.673
300: 41455.34 + 299.778 = 41754.813
301: 41471.553 + 298.711 = 41770.264
302: 41987.510 + 269.569 = 42257.79
303: 40763.379 + 342.885 = 41106.264
304: 41341.908 + 454.664 = 41796.572
305: 41091.793 + 318.365 = 41410.159
306: 41227.936 + 311.947 = 41539.883
307: 41442.563 + 296.619 = 41739.183
308: 41155.472 + 314.395 = 41469.868
309: 40941.498 + 340.80 = 41281.578
310: 41812.763 + 274.335 = 42087.98
311: 40386.09 + 358.227 = 40744.237
312: 41575.85 + 460.159 = 42035.245
313: 41370.802 + 308.737 = 41679.539
314: 41343.317 + 311.867 = 41655.185
315: 41817.927 + 286.373 = 42104.300
316: 41372.69 + 304.931 = 41677.01
317: 41185.326 + 318.557 = 41503.884
318: 41768.152 + 277.947 = 42046.99
319: 40502.148 + 355.566 = 40857.714
320: 42046.132 + 449.867 = 42495.999
321: 41764.860 + 283.983 = 42048.843
322: 41863.711 + 276.994 = 42140.705
323: 42112.45 + 265.517 = 42377.563
324: 41819.223 + 278.423 = 42097.647
325: 41599.290 + 294.494 = 41893.785
326: 42154.502 + 261.74 = 42415.576
327: 41039.20 + 328.438 = 41367.459
328: 41570.740 + 496.408 = 42067.148
329: 41294.473 + 318.789 = 41613.262
330: 41530.885 + 292.613 = 41823.499
331: 41601.816 + 294.252 = 41896.69
332: 41337.942 + 313.619 = 41651.562
333: 41145.989 + 324.126 = 41470.115
334: 41802.53 + 277.696 = 42079.750
335: 40583.452 + 374.404 = 40957.856
336: 41624.900 + 450.747 = 42075.647
337: 41370.319 + 310.580 = 41680.900
338: 41492.364 + 300.496 = 41792.860
339: 41732.370 + 289.52 = 42021.422
340: 41375.77 + 306.900 = 41681.978
341: 41217.809 + 314.118 = 41531.928
342: 41970.134 + 269.967 = 42240.102
343: 40564.522 + 349.471 = 40913.994
344: 41817.644 + 441.991 = 42259.636
345: 41731.690 + 282.886 = 42014.577
346: 42003.176 + 268.815 = 42271.991
347: 42028.106 + 267.785 = 42295.891
348: 41626.779 + 285.567 = 41912.347
349: 41563.782 + 291.643 = 41855.425
350: 42185.690 + 252.704 = 42438.395
351: 40883.715 + 330.341 = 41214.56
352: 41826.84 + 444.741 = 42270.826
353: 41732.674 + 283.104 = 42015.779
354: 41726.84 + 284.849 = 42010.933
355: 41929.275 + 282.228 = 42211.504
356: 41705.952 + 281.73 = 41987.25
357: 41541.994 + 295.658 = 41837.652
358: 42065.18 + 264.886 = 42329.905
359: 40851.374 + 327.999 = 41179.374
360: 41893.303 + 452.771 = 42346.74
361: 41725.966 + 293.18 = 42018.984
362: 41677.912 + 292.113 = 41970.26
363: 42069.206 + 266.905 = 42336.111
364: 41738.901 + 288.609 = 42027.510
365: 41548.616 + 304.549 = 41853.165
366: 42136.293 + 263.470 = 42399.764
367: 40730.55 + 344.224 = 41074.280
368: 41595.622 + 452.170 = 42047.793
369: 41328.977 + 307.295 = 41636.273
370: 41446.182 + 301.722 = 41747.905
371: 41796.967 + 280.416 = 42077.383
372: 41327.248 + 309.631 = 41636.880
373: 41253.58 + 315.807 = 41568.866
374: 41833.430 + 276.550 = 42109.980
375: 40545.75 + 348.908 = 40893.983
376: 41488.165 + 460.656 = 41948.821
377: 41222.897 + 330.36 = 41552.934
378: 41390.495 + 330.542 = 41721.38
379: 41586.119 + 295.328 = 41881.447
380: 41316.432 + 386.783 = 41703.215
381: 41078.677 + 379.543 = 41458.221
382: 41806.718 + 310.446 = 42117.164
383: 40389.91 + 358.492 = 40747.584
384: 41697.977 + 443.436 = 42141.414
385: 41462.668 + 306.51 = 41768.719
386: 41625.92 + 292.545 = 41917.638
387: 41794.173 + 282.682 = 42076.855
388: 41459.133 + 302.399 = 41761.532
389: 41416.801 + 303.294 = 41720.95
390: 42012.353 + 263.273 = 42275.627
391: 40679.974 + 342.617 = 41022.591
392: 41653.813 + 464.122 = 42117.935
393: 41497.845 + 319.359 = 41817.205
394: 41561.103 + 298.930 = 41860.33
395: 41794.15 + 292.444 = 42086.460
396: 41527.74 + 478.507 = 42005.581
397: 41377.781 + 321.766 = 41699.547
398: 42109.393 + 281.157 = 42390.550
399: 40702.378 + 352.424 = 41054.803
400: 41668.596 + 451.42 = 42119.639
401: 41571.115 + 297.120 = 41868.235
402: 41664.721 + 328.638 = 41993.360
403: 41817.775 + 274.382 = 42092.158
404: 41573.18 + 379.149 = 41952.167
405: 41447.385 + 308.166 = 41755.552
406: 42164.668 + 253.825 = 42418.494
407: 40644.315 + 353.651 = 40997.967
408: 41656.527 + 446.901 = 42103.429
409: 41564.984 + 302.728 = 41867.712
410: 41498.357 + 305.683 = 41804.41
411: 41678.602 + 288.682 = 41967.285
412: 41388.723 + 318.976 = 41707.699
413: 41294.102 + 317.773 = 41611.875
414: 41838.891 + 277.296 = 42116.187
415: 40633.187 + 351.474 = 40984.662
416: 41971.943 + 427.982 = 42399.925
417: 41716.810 + 281.576 = 41998.386
418: 41856.918 + 277.681 = 42134.600
419: 41986.783 + 271.595 = 42258.379
420: 41634.994 + 283.371 = 41918.366
421: 41586.978 + 289.865 = 41876.844
422: 42173.153 + 247.851 = 42421.04
423: 40911.593 + 325.546 = 41237.140
424: 41565.510 + 438.474 = 42003.985
425: 41566.558 + 295.108 = 41861.666
426: 41505.775 + 304.510 = 41810.286
427: 41703.198 + 323.939 = 42027.137
428: 41312.667 + 381.695 = 41694.362
429: 41180.298 + 321.978 = 41502.276
430: 41822.663 + 300.605 = 42123.268
431: 40700.585 + 373.491 = 41074.76
432: 41635.310 + 499.127 = 42134.438
433: 41378.600 + 314.654 = 41693.255
434: 41552.234 + 296.550 = 41848.784
435: 41763.952 + 286.195 = 42050.147
436: 41424.238 + 312.994 = 41737.232
437: 41269.357 + 315.06 = 41584.363
438: 41924.760 + 270.551 = 42195.312
439: 40646.12 + 360.181 = 41006.194
440: 41427.158 + 465.91 = 41892.250
441: 41205.113 + 330.481 = 41535.595
442: 41276.46 + 315.868 = 41591.914
443: 41546.963 + 291.954 = 41838.917
444: 41269.291 + 319.961 = 41589.252
445: 41023.124 + 419.265 = 41442.390
446: 41766.656 + 276.291 = 42042.947
447: 40459.457 + 386.883 = 40846.341
448: 43439.275 + 243.411 = 43682.686
449: 43114.400 + 190.742 = 43305.143
450: 43174.263 + 183.79 = 43357.342
451: 43388.525 + 170.782 = 43559.308
452: 43243.91 + 179.233 = 43422.325
453: 43095.481 + 189.819 = 43285.300
454: 43598.28 + 157.594 = 43755.622
455: 42323.354 + 233.753 = 42557.107
456: 41841.973 + 441.916 = 42283.889
457: 41645.386 + 296.570 = 41941.956
458: 41671.553 + 293.329 = 41964.882
459: 42065.824 + 269.262 = 42335.87
460: 41693.381 + 290.430 = 41983.812
461: 41526.339 + 300.710 = 41827.49
462: 42030.577 + 268.50 = 42298.627
463: 40781.593 + 340.206 = 41121.800
464: 41764.662 + 474.272 = 42238.935
465: 41616.519 + 364.903 = 41981.422
466: 41649.957 + 332.39 = 41981.996
467: 41925.171 + 298.411 = 42223.582
468: 41552.56 + 302.758 = 41854.814
469: 41493.474 + 307.304 = 41800.778
470: 42068.678 + 273.996 = 42342.675
471: 40778.862 + 354.769 = 41133.631
472: 41732.967 + 447.464 = 42180.431
473: 41658.362 + 297.915 = 41956.277
474: 41641.535 + 288.819 = 41930.355
475: 41859.522 + 280.776 = 42140.299
476: 41558.45 + 301.943 = 41859.988
477: 41414.160 + 307.682 = 41721.842
478: 42140.466 + 256.944 = 42397.411
479: 40771.459 + 341.870 = 41113.329
480: 41608.534 + 486.739 = 42095.274
481: 41358.234 + 320.100 = 41678.335
482: 41383.906 + 312.304 = 41696.210
483: 41622.186 + 297.741 = 41919.928
484: 41253.300 + 348.282 = 41601.582
485: 41231.398 + 320.644 = 41552.43
486: 41748.808 + 285.198 = 42034.06
487: 40413.462 + 361.971 = 40775.434
488: 41400.857 + 459.450 = 41860.308
489: 41345.418 + 313.545 = 41658.964
490: 41254.581 + 390.621 = 41645.203
491: 41486.525 + 302.95 = 41788.620
492: 41124.881 + 334.410 = 41459.291
493: 41171.722 + 373.684 = 41545.407
494: 41771.669 + 284.919 = 42056.589
495: 40326.476 + 373.333 = 40699.809
496: 41952.121 + 452.582 = 42404.703
497: 41807.173 + 284.443 = 42091.616
498: 41797.722 + 271.702 = 42069.425
499: 42095.844 + 269.848 = 42365.692
500: 41751.736 + 285.725 = 42037.462
501: 41598.326 + 295.304 = 41893.630
502: 42204.930 + 250.240 = 42455.171
503: 41033.589 + 337.147 = 41370.736
504: 41757.330 + 576.752 = 42334.83
505: 41617.166 + 294.492 = 41911.659
506: 41611.148 + 289.242 = 41900.391
507: 41902.906 + 265.790 = 42168.697
508: 41591.296 + 292.134 = 41883.431
509: 41466.305 + 301.107 = 41767.412
510: 42155.779 + 257.413 = 42413.193
511: 40763.704 + 341.22 = 41104.726
512: 41787.607 + 457.476 = 42245.84
513: 41707.666 + 298.512 = 42006.178
514: 41717.390 + 286.656 = 42004.46
515: 41843.277 + 280.848 = 42124.126
516: 41621.687 + 298.632 = 41920.319
517: 41504.276 + 305.371 = 41809.648
518: 42228.825 + 255.734 = 42484.560
519: 40743.438 + 340.11 = 41083.449
520: 41968.490 + 430.880 = 42399.370
521: 41715.751 + 286.799 = 42002.550
522: 41826.536 + 281.308 = 42107.844
523: 41997.411 + 270.362 = 42267.773
524: 41609.594 + 291.51 = 41900.646
525: 41647.634 + 291.338 = 41938.973
526: 42115.664 + 261.93 = 42376.758
527: 40934.451 + 330.327 = 41264.778
528: 41804.945 + 445.813 = 42250.758
529: 41643.457 + 311.977 = 41955.435
530: 41722.862 + 281.439 = 42004.301
531: 41968.336 + 278.705 = 42247.41
532: 41613.891 + 288.70 = 41901.962
533: 41523.318 + 299.244 = 41822.562
534: 42122.403 + 256.452 = 42378.855
535: 40874.659 + 330.262 = 41204.922
536: 41444.83 + 456.727 = 41900.811
537: 41333.640 + 320.814 = 41654.455
538: 41405.908 + 309.459 = 41715.367
539: 41577.587 + 365.126 = 41942.713
540: 41254.899 + 336.948 = 41591.848
541: 41113.527 + 319.232 = 41432.759
542: 41672.525 + 359.712 = 42032.237
543: 40553.485 + 356.679 = 40910.164
544: 41809.813 + 451.505 = 42261.319
545: 41697.683 + 280.954 = 41978.637
546: 41734.528 + 282.179 = 42016.708
547: 41993.423 + 269.240 = 42262.663
548: 41634.863 + 280.728 = 41915.591
549: 41591.455 + 289.17 = 41880.473
550: 42101.929 + 256.113 = 42358.42
551: 40885.806 + 334.47 = 41219.854
552: 41572.127 + 442.979 = 42015.107
553: 41303.66 + 317.367 = 41620.434
554: 41310.414 + 308.675 = 41619.90
555: 41585.887 + 294.651 = 41880.539
556: 41241.560 + 315.32 = 41556.593
557: 41162.656 + 320.106 = 41482.762
558: 41781.487 + 276.753 = 42058.240
559: 40388.25 + 359.876 = 40747.902
560: 41617.196 + 461.832 = 42079.29
561: 41504.560 + 308.497 = 41813.58
562: 41732.902 + 288.418 = 42021.320
563: 41822.428 + 281.521 = 42103.950
564: 41590.792 + 328.721 = 41919.514
565: 41386.557 + 378.717 = 41765.275
566: 42005.527 + 262.835 = 42268.362
567: 40625.562 + 390.287 = 41015.849
568: 41455.485 + 452.533 = 41908.18
569: 41174.295 + 317.484 = 41491.780
570: 41382.567 + 310.635 = 41693.203
571: 41693.548 + 293.596 = 41987.145
572: 41282.692 + 322.819 = 41605.511
573: 41248.358 + 316.587 = 41564.945
574: 41764.709 + 277.911 = 42042.620
575: 40518.576 + 358.52 = 40876.629
576: 41467.729 + 472.555 = 41940.284
577: 41384.999 + 319.791 = 41704.791
578: 41458.323 + 381.702 = 41840.26
579: 41598.195 + 291.431 = 41889.626
580: 41345.803 + 371.787 = 41717.591
581: 41163.958 + 341.538 = 41505.496
582: 41871.272 + 339.641 = 42210.914
583: 40670.724 + 347.840 = 41018.565
584: 41568.984 + 434.391 = 42003.375
585: 41246.475 + 313.132 = 41559.607
586: 41440.136 + 297.782 = 41737.919
587: 41585.102 + 291.644 = 41876.746
588: 41332.444 + 306.175 = 41638.619
589: 41164.276 + 317.722 = 41481.998
590: 41823.596 + 278.858 = 42102.454
591: 40611.64 + 344.497 = 40955.562
592: 41763.253 + 452.04 = 42215.258
593: 41476.259 + 305.674 = 41781.934
594: 41630.265 + 297.33 = 41927.299
595: 41907.245 + 278.17 = 42185.262
596: 41621.292 + 338.999 = 41960.292
597: 41377.33 + 308.718 = 41685.752
598: 41994.210 + 266.201 = 42260.411
599: 40679.86 + 349.427 = 41028.513
600: 41415.976 + 454.910 = 41870.886
601: 41126.642 + 316.282 = 41442.924
602: 41399.758 + 304.854 = 41704.613
603: 41495.873 + 309.503 = 41805.377
604: 41107.398 + 316.235 = 41423.633
605: 41044.45 + 320.26 = 41364.72
606: 41737.814 + 280.795 = 42018.610
607: 40388.500 + 362.888 = 40751.389
608: 41770.472 + 446.183 = 42216.655
609: 41489.946 + 315.312 = 41805.259
610: 41656.106 + 290.528 = 41946.634
611: 41896.915 + 348.720 = 42245.636
612: 41597.701 + 433.644 = 42031.345
613: 41530.206 + 295.123 = 41825.330
614: 42059.598 + 345.931 = 42405.529
615: 40752.693 + 346.959 = 41099.652
616: 41806.886 + 441.419 = 42248.305
617: 41537.153 + 289.33 = 41826.187
618: 41600.715 + 293.22 = 41893.737
619: 41875.10 + 275.276 = 42150.286
620: 41686.390 + 280.754 = 41967.145
621: 41436.248 + 295.753 = 41732.02
622: 41983.79 + 258.847 = 42241.926
623: 40760.636 + 336.143 = 41096.780
624: 41446.963 + 505.469 = 41952.433
625: 41170.514 + 323.580 = 41494.95
626: 41324.634 + 318.75 = 41642.709
627: 41551.61 + 306.16 = 41857.77
628: 41146.996 + 400.400 = 41547.397
629: 41040.907 + 327.725 = 41368.633
630: 41712.354 + 341.307 = 42053.662
631: 40366.02 + 392.651 = 40758.653
632: 41537.799 + 449.505 = 41987.304
633: 41396.33 + 307.705 = 41703.739
634: 41504.650 + 302.948 = 41807.598
635: 41556.933 + 298.239 = 41855.173
636: 41208.114 + 312.490 = 41520.605
637: 41131.599 + 349.121 = 41480.721
638: 41742.723 + 279.467 = 42022.191
639: 40416.726 + 355.843 = 40772.569
640: 41486.878 + 476.341 = 41963.219
641: 41209.753 + 310.179 = 41519.932
642: 41309.23 + 306.179 = 41615.202
643: 41588.248 + 333.827 = 41922.75
644: 41252.104 + 307.67 = 41559.172
645: 41191.211 + 310.995 = 41502.206
646: 41785.872 + 273.506 = 42059.379
647: 40398.176 + 356.298 = 40754.474
648: 41619.561 + 455.85 = 42074.646
649: 41134.406 + 320.406 = 41454.813
650: 41304.958 + 364.537 = 41669.495
651: 41499.151 + 292.363 = 41791.515
652: 41210.110 + 360.846 = 41570.956
653: 41050.354 + 324.840 = 41375.195
654: 41727.851 + 286.254 = 42014.106
655: 40391.730 + 388.946 = 40780.676
656: 44936.366 + 83.10 = 45019.377
657: 44592.393 + 100.122 = 44692.515
658: 44688.149 + 88.746 = 44776.895
659: 44929.890 + 75.399 = 45005.289
660: 44586.771 + 95.973 = 44682.745
661: 44536.178 + 100.775 = 44636.954
662: 45023.858 + 69.780 = 45093.639
663: 43756.806 + 148.94 = 43904.900
664: 41812.587 + 470.749 = 42283.337
665: 41483.948 + 293.617 = 41777.566
666: 41728.829 + 284.293 = 42013.122
667: 41853.805 + 274.68 = 42127.874
668: 41474.70 + 296.942 = 41771.12
669: 41551.619 + 290.441 = 41842.60
670: 42025.594 + 260.19 = 42285.613
671: 40760.721 + 337.135 = 41097.856
672: 41624.564 + 466.198 = 42090.763
673: 41403.24 + 297.185 = 41700.210
674: 41406.585 + 297.814 = 41704.400
675: 41791.934 + 278.144 = 42070.79
676: 41485.534 + 292.788 = 41778.323
677: 41231.438 + 311.114 = 41542.552
678: 42003.32 + 258.802 = 42261.834
679: 40553.14 + 345.337 = 40898.352
680: 41724.389 + 454.82 = 42178.472
681: 41561.341 + 312.137 = 41873.479
682: 41593.795 + 300.942 = 41894.738
683: 41824.838 + 327.178 = 42152.17
684: 41566.266 + 362.101 = 41928.368
685: 41467.80 + 314.315 = 41781.396
686: 42156.940 + 344.953 = 42501.893
687: 40775.532 + 358.815 = 41134.347
688: 41488.771 + 459.717 = 41948.488
689: 41252.573 + 328.340 = 41580.913
690: 41597.521 + 299.197 = 41896.719
691: 41593.700 + 374.257 = 41967.957
692: 41248.82 + 324.178 = 41572.261
693: 41289.418 + 321.708 = 41611.127
694: 41868.974 + 284.540 = 42153.515
695: 40534.484 + 359.131 = 40893.615
696: 41680.816 + 443.623 = 42124.440
697: 41490.882 + 296.151 = 41787.34
698: 41493.474 + 297.517 = 41790.991
699: 41723.788 + 286.698 = 42010.487
700: 41620.847 + 286.861 = 41907.708
701: 41395.03 + 297.859 = 41692.862
702: 41989.855 + 264.754 = 42254.610
703: 40683.751 + 343.78 = 41026.829
704: 41489.07 + 447.65 = 41936.72
705: 41256.937 + 309.595 = 41566.532
706: 41390.325 + 302.557 = 41692.882
707: 41711.868 + 294.62 = 42005.930
708: 41317.206 + 311.233 = 41628.440
709: 41198.384 + 333.822 = 41532.206
710: 41845.889 + 277.754 = 42123.643
711: 40562.839 + 368.548 = 40931.387
712: 41274.742 + 471.192 = 41745.935
713: 41116.496 + 339.101 = 41455.597
714: 41194.479 + 373.637 = 41568.116
715: 41532.135 + 293.862 = 41825.998
716: 41082.919 + 379.593 = 41462.513
717: 40871.683 + 385.891 = 41257.574
718: 41716.180 + 288.402 = 42004.582
719: 40234.713 + 391.148 = 40625.861
720: 43595.432 + 236.618 = 43832.51
721: 43345.48 + 173.239 = 43518.288
722: 43384.153 + 168.352 = 43552.505
723: 43647.511 + 153.73 = 43800.585
724: 43237.741 + 175.901 = 43413.642
725: 43268.815 + 176.401 = 43445.216
726: 43897.277 + 136.915 = 44034.193
727: 42505.583 + 220.713 = 42726.297
728: 41907.409 + 454.644 = 42362.53
729: 41621.891 + 299.336 = 41921.227
730: 41811.870 + 320.595 = 42132.466
731: 41989.459 + 313.951 = 42303.410
732: 41671.274 + 298.236 = 41969.511
733: 41525.625 + 303.594 = 41829.220
734: 42140.160 + 338.430 = 42478.590
735: 40921.818 + 356.67 = 41277.886
736: 41813.764 + 446.930 = 42260.695
737: 41711.514 + 295.69 = 42006.583
738: 41730.831 + 283.581 = 42014.412
739: 41975.768 + 270.623 = 42246.392
740: 41658.823 + 287.691 = 41946.515
741: 41521.893 + 295.869 = 41817.762
742: 42142.146 + 259.646 = 42401.793
743: 40978.548 + 326.162 = 41304.710
744: 41766.25 + 455.865 = 42221.890
745: 41469.21 + 304.264 = 41773.285
746: 41679.785 + 296.477 = 41976.263
747: 41843.604 + 280.604 = 42124.208
748: 41445.925 + 298.722 = 41744.648
749: 41472.804 + 297.826 = 41770.630
750: 42140.652 + 256.154 = 42396.806
751: 40664.825 + 343.505 = 41008.331
752: 41715.115 + 455.54 = 42170.170
753: 41662.522 + 287.637 = 41950.159
754: 41622.816 + 331.553 = 41954.369
755: 41975.128 + 262.163 = 42237.291
756: 41533.660 + 317.428 = 41851.89
757: 41413.305 + 305.165 = 41718.471
758: 42001.659 + 266.230 = 42267.889
759: 40761.738 + 346.152 = 41107.891
760: 41638.333 + 447.943 = 42086.277
761: 41501.547 + 306.204 = 41807.751
762: 41494.296 + 298.703 = 41793.00
763: 41904.231 + 275.450 = 42179.681
764: 41392.414 + 300.908 = 41693.323
765: 41277.815 + 311.69 = 41588.884
766: 41866.642 + 274.856 = 42141.498
767: 40622.717 + 357.717 = 40980.435
768: 41951.543 + 437.254 = 42388.798
769: 41815.177 + 284.647 = 42099.824
770: 41863.720 + 278.467 = 42142.188
771: 42054.331 + 267.747 = 42322.79
772: 41853.36 + 275.832 = 42128.868
773: 41746.857 + 283.612 = 42030.470
774: 42148.246 + 259.887 = 42408.133
775: 40995.395 + 335.162 = 41330.558
776: 41573.490 + 450.942 = 42024.433
777: 41172.48 + 319.133 = 41491.182
778: 41423.915 + 304.479 = 41728.395
779: 41625.133 + 291.233 = 41916.367
780: 41284.818 + 317.191 = 41602.09
781: 41202.775 + 310.863 = 41513.638
782: 41807.103 + 284.138 = 42091.242
783: 40541.600 + 359.67 = 40900.667
784: 41667.477 + 451.210 = 42118.688
785: 41714.71 + 287.626 = 42001.698
786: 41584.120 + 294.835 = 41878.956
787: 41882.411 + 279.664 = 42162.75
788: 41545.858 + 294.485 = 41840.343
789: 41519.993 + 305.551 = 41825.544
790: 41941.861 + 272.129 = 42213.991
791: 40655.548 + 346.449 = 41001.998
792: 41581.97 + 456.488 = 42037.585
793: 41433.996 + 298.886 = 41732.882
794: 41409.691 + 305.631 = 41715.322
795: 41914.751 + 271.495 = 42186.247
796: 41414.214 + 302.91 = 41716.306
797: 41296.19 + 308.962 = 41604.981
798: 41894.438 + 273.372 = 42167.810
799: 40548.471 + 348.662 = 40897.133
800: 41577.904 + 457.373 = 42035.278
801: 41323.145 + 304.841 = 41627.987
802: 41409.188 + 308.203 = 41717.391
803: 41694.791 + 285.232 = 41980.23
804: 41342.461 + 299.522 = 41641.983
805: 41211.251 + 314.876 = 41526.127
806: 41888.256 + 268.891 = 42157.148
807: 40582.873 + 349.907 = 40932.781
808: 41686.615 + 442.509 = 42129.125
809: 41420.385 + 306.562 = 41726.948
810: 41514.900 + 292.522 = 41807.422
811: 41802.460 + 278.538 = 42080.998
812: 41419.378 + 301.548 = 41720.926
813: 41341.654 + 310.214 = 41651.869
814: 41942.857 + 267.849 = 42210.707
815: 40593.87 + 341.341 = 40934.429
816: 41610.574 + 468.32 = 42078.606
817: 41433.527 + 311.892 = 41745.419
818: 41614.476 + 292.775 = 41907.251
819: 41810.166 + 283.380 = 42093.546
820: 41411.385 + 311.425 = 41722.811
821: 41189.920 + 321.70 = 41510.991
822: 41998.450 + 268.556 = 42267.07
823: 40701.237 + 394.526 = 41095.763
824: 41883.193 + 449.930 = 42333.123
825: 41559.925 + 291.904 = 41851.829
826: 41818.27 + 277.529 = 42095.557
827: 41936.467 + 279.770 = 42216.237
828: 41738.277 + 280.517 = 42018.794
829: 41546.282 + 293.895 = 41840.177
830: 42146.271 + 256.580 = 42402.852
831: 40865.406 + 331.762 = 41197.168
832: 41842.279 + 465.996 = 42308.275
833: 41679.368 + 296.960 = 41976.329
834: 41794.883 + 275.414 = 42070.297
835: 41960.400 + 274.534 = 42234.935
836: 41656.374 + 294.168 = 41950.542
837: 41599.283 + 295.325 = 41894.608
838: 42214.675 + 249.581 = 42464.257
839: 40807.121 + 357.125 = 41164.246
840: 41632.280 + 520.412 = 42152.692
841: 41355.345 + 316.956 = 41672.302
842: 41452.293 + 303.01 = 41755.295
843: 41670.551 + 291.778 = 41962.329
844: 41360.788 + 316.274 = 41677.63
845: 41261.69 + 316.180 = 41577.250
846: 41946.868 + 271.488 = 42218.357
847: 40588.199 + 345.814 = 40934.13
848: 41462.401 + 465.123 = 41927.525
849: 41327.465 + 327.414 = 41654.879
850: 41499.62 + 307.666 = 41806.729
851: 41676.282 + 360.36 = 42036.318
852: 41327.679 + 324.234 = 41651.913
853: 41302.958 + 318.142 = 41621.101
854: 41969.904 + 335.616 = 42305.520
855: 40524.508 + 363.466 = 40887.975
856: 41512.401 + 444.951 = 41957.353
857: 41402.516 + 296.351 = 41698.867
858: 41424.729 + 301.315 = 41726.44
859: 41795.332 + 281.270 = 42076.602
860: 41318.707 + 305.122 = 41623.829
861: 41207.590 + 305.880 = 41513.470
862: 41884.855 + 274.478 = 42159.333
863: 40752.266 + 334.782 = 41087.48
864: 41371.856 + 468.491 = 41840.348
865: 41250.567 + 322.987 = 41573.554
866: 41316.376 + 315.10 = 41631.386
867: 41670.263 + 293.363 = 41963.626
868: 41168.649 + 403.132 = 41571.781
869: 41095.873 + 328.770 = 41424.644
870: 41789.316 + 276.541 = 42065.858
871: 40512.921 + 352.39 = 40864.961
872: 41610.155 + 447.673 = 42057.828
873: 41421.913 + 297.873 = 41719.786
874: 41445.62 + 300.64 = 41745.127
875: 41907.96 + 270.661 = 42177.758
876: 41444.981 + 297.676 = 41742.657
877: 41383.432 + 303.885 = 41687.318
878: 41866.515 + 275.509 = 42142.25
879: 40582.374 + 343.739 = 40926.113
880: 41627.47 + 458.427 = 42085.475
881: 41368.659 + 314.126 = 41682.786
882: 41511.843 + 287.727 = 41799.571
883: 41669.940 + 288.777 = 41958.717
884: 41355.412 + 307.892 = 41663.305
885: 41353.568 + 311.285 = 41664.853
886: 41920.357 + 262.370 = 42182.728
887: 40574.257 + 344.765 = 40919.22
888: 41427.966 + 456.858 = 41884.825
889: 41298.177 + 312.886 = 41611.63
890: 41295.296 + 311.90 = 41606.386
891: 41641.421 + 292.88 = 41933.509
892: 41237.906 + 344.524 = 41582.430
893: 41272.535 + 316.592 = 41589.127
894: 41783.177 + 269.77 = 42052.254
895: 40391.924 + 353.512 = 40745.437
896: 41371.644 + 464.251 = 41835.895
897: 41324.227 + 315.688 = 41639.915
898: 41309.198 + 345.692 = 41654.890
899: 41481.356 + 316.373 = 41797.730
900: 41150.451 + 323.797 = 41474.248
901: 41032.697 + 357.941 = 41390.639
902: 41786.439 + 278.371 = 42064.811
903: 40346.483 + 370.562 = 40717.45
904: 41665.432 + 456.116 = 42121.549
905: 41544.790 + 311.233 = 41856.24
906: 41580.85 + 297.295 = 41877.380
907: 41810.287 + 362.693 = 42172.981
908: 41467.169 + 425.560 = 41892.730
909: 41364.567 + 314.139 = 41678.706
910: 41889.835 + 341.31 = 42230.866
911: 40732.340 + 344.168 = 41076.508
912: 41672.627 + 459.731 = 42132.359
913: 41454.92 + 312.523 = 41766.615
914: 41576.379 + 383.795 = 41960.174
915: 41803.688 + 282.443 = 42086.131
916: 41452.193 + 338.687 = 41790.881
917: 41323.147 + 324.315 = 41647.463
918: 42058.428 + 269.254 = 42327.683
919: 40651.225 + 354.428 = 41005.654
920: 41756.224 + 441.686 = 42197.911
921: 41627.637 + 294.797 = 41922.434
922: 41639.808 + 296.694 = 41936.503
923: 41880.144 + 282.210 = 42162.355
924: 41473.559 + 303.406 = 41776.966
925: 41523.449 + 299.166 = 41822.616
926: 41951.571 + 270.677 = 42222.249
927: 40842.46 + 337.890 = 41179.937
928: 41744.796 + 442.283 = 42187.80
929: 41537.83 + 300.143 = 41837.226
930: 41491.681 + 290.861 = 41782.543
931: 41757.90 + 287.495 = 42044.585
932: 41461.90 + 305.724 = 41766.814
933: 41345.566 + 312.179 = 41657.745
934: 42102.406 + 258.413 = 42360.820
935: 40702.877 + 338.640 = 41041.518
936: 41791.499 + 440.625 = 42232.125
937: 41398.100 + 317.951 = 41716.51
938: 41593.724 + 302.525 = 41896.249
939: 41795.602 + 338.199 = 42133.801
940: 41512.114 + 395.326 = 41907.440
941: 41329.305 + 315.747 = 41645.53
942: 42013.703 + 308.598 = 42322.301
943: 40715.274 + 352.357 = 41067.631
944: 41748.24 + 452.979 = 42201.03
945: 41689.222 + 303.690 = 41992.913
946: 41762.21 + 290.00 = 42052.21
947: 41812.674 + 371.79 = 42183.753
948: 41552.321 + 321.950 = 41874.272
949: 41493.132 + 314.344 = 41807.476
950: 41999.174 + 284.479 = 42283.654
951: 40694.475 + 356.457 = 41050.933
952: 41407.515 + 461.653 = 41869.168
953: 41082.679 + 337.200 = 41419.880
954: 41287.282 + 362.178 = 41649.460
955: 41436.307 + 302.290 = 41738.597
956: 41251.683 + 405.12 = 41656.695
957: 40996.491 + 372.538 = 41369.30
958: 41693.468 + 287.106 = 41980.575
959: 40331.792 + 392.400 = 40724.192
960: 41697.407 + 450.820 = 42148.228
961: 41495.95 + 316.227 = 41811.322
962: 41477.212 + 314.79 = 41791.292
963: 41800.884 + 282.923 = 42083.808
964: 41450.493 + 366.519 = 41817.13
965: 41245.878 + 337.41 = 41582.919
966: 41922.573 + 276.56 = 42198.630
967: 40703.589 + 377.473 = 41081.63
968: 41964.503 + 432.492 = 42396.996
969: 41599.155 + 296.933 = 41896.89
970: 41766.296 + 276.388 = 42042.684
971: 41902.746 + 287.828 = 42190.575
972: 41675.747 + 292.240 = 41967.988
973: 41577.34 + 344.225 = 41921.260
974: 42206.827 + 263.860 = 42470.687
975: 40940.635 + 339.39 = 41279.675
976: 41481.432 + 489.84 = 41970.516
977: 41438.847 + 322.113 = 41760.960
978: 41350.774 + 471.913 = 41822.687
979: 41805.307 + 334.578 = 42139.886
980: 41360.62 + 316.397 = 41676.459
981: 41180.430 + 331.26 = 41511.457
982: 42055.11 + 286.552 = 42341.563
983: 40462.965 + 368.827 = 40831.793
984: 41695.552 + 448.494 = 42144.47
985: 41621.46 + 287.404 = 41908.450
986: 41754.408 + 282.576 = 42036.984
987: 41840.355 + 273.131 = 42113.486
988: 41582.289 + 292.427 = 41874.716
989: 41394.46 + 298.86 = 41692.132
990: 42031.353 + 262.135 = 42293.489
991: 40622.405 + 344.652 = 40967.57
992: 41562.390 + 474.505 = 42036.896
993: 41344.336 + 332.701 = 41677.37
994: 41618.88 + 314.350 = 41932.439
995: 41691.81 + 301.303 = 41992.385
996: 41415.128 + 323.616 = 41738.744
997: 41333.306 + 323.102 = 41656.408
998: 41933.535 + 279.36 = 42212.572
999: 40810.359 + 350.367 = 41160.726
1000: 41776.494 + 447.873 = 42224.367
1001: 41514.309 + 293.720 = 41808.30
1002: 41714.202 + 281.573 = 41995.775
1003: 41966.391 + 270.260 = 42236.651
1004: 41583.127 + 289.360 = 41872.488
1005: 41558.993 + 295.495 = 41854.489
1006: 42093.557 + 257.563 = 42351.120
1007: 40774.783 + 338.515 = 41113.298
1008: 41645.864 + 457.07 = 42102.872
1009: 41445.822 + 318.344 = 41764.167
1010: 41506.203 + 290.814 = 41797.17
1011: 41785.715 + 315.318 = 42101.34
1012: 41416.217 + 297.724 = 41713.942
1013: 41327.823 + 309.396 = 41637.220
1014: 42048.60 + 272.229 = 42320.290
1015: 40488.480 + 366.117 = 40854.598
1016: 41512.562 + 458.723 = 41971.285
1017: 41295.648 + 324.896 = 41620.544
1018: 41476.71 + 309.570 = 41785.642
1019: 41600.117 + 302.17 = 41902.134
1020: 41369.716 + 318.960 = 41688.676
1021: 41334.437 + 327.86 = 41661.524
1022: 41947.83 + 286.77 = 42233.161
1023: 40536.158 + 362.87 = 40898.246
1024: 3307.870 + 4715.455 = 8023.326
1025: 3306.385 + 4716.875 = 8023.261
1026: 3324.323 + 4698.990 = 8023.314
1027: 3317.21 + 4706.245 = 8023.267
1028: 3330.396 + 4692.861 = 8023.257
1029: 3311.18 + 4712.345 = 8023.364
1030: 3316.409 + 4706.866 = 8023.276
1031: 3326.881 + 4696.366 = 8023.247
1032: 3296.799 + 4726.826 = 8023.626
1033: 3325.285 + 4698.314 = 8023.600
1034: 3318.461 + 4705.165 = 8023.627
1035: 3334.645 + 4688.997 = 8023.643
1036: 3359.690 + 4663.945 = 8023.635
1037: 3323.824 + 4699.794 = 8023.619
1038: 3294.11 + 4729.595 = 8023.607
1039: 3351.91 + 4672.654 = 8023.745
1040: 3313.875 + 4709.424 = 8023.300
1041: 3300.719 + 4722.597 = 8023.317
1042: 3317.812 + 4705.473 = 8023.286
1043: 3309.82 + 4714.232 = 8023.314
1044: 3304.772 + 4718.536 = 8023.308
1045: 3315.897 + 4707.380 = 8023.278
1046: 3342.659 + 4680.637 = 8023.296
1047: 3311.371 + 4711.906 = 8023.277
1048: 3295.690 + 4727.386 = 8023.76
1049: 3322.366 + 4700.566 = 8022.933
1050: 3330.668 + 4692.248 = 8022.917
1051: 3240.112 + 4782.825 = 8022.937
1052: 3329.945 + 4692.966 = 8022.911
1053: 3353.646 + 4669.256 = 8022.903
1054: 3318.365 + 4704.565 = 8022.931
1055: 3308.660 + 4714.256 = 8022.917
1056: 3309.937 + 4713.90 = 8023.27
1057: 3364.571 + 4658.462 = 8023.33
1058: 3333.978 + 4689.60 = 8023.39
1059: 3322.617 + 4700.396 = 8023.14
1060: 3346.456 + 4676.568 = 8023.25
1061: 3322.968 + 4700.79 = 8023.48
1062: 3344.342 + 4678.743 = 8023.85
1063: 3313.324 + 4709.706 = 8023.30
1064: 3358.418 + 4664.781 = 8023.200
1065: 3315.624 + 4707.550 = 8023.174
1066: 3338.507 + 4684.665 = 8023.173
1067: 3331.754 + 4691.408 = 8023.162
1068: 3316.89 + 4707.95 = 8023.185
1069: 3327.196 + 4695.966 = 8023.162
1070: 3297.693 + 4725.482 = 8023.175
1071: 3345.816 + 4677.348 = 8023.164
1072: 3321.279 + 4701.752 = 8023.31
1073: 3349.672 + 4673.356 = 8023.28
1074: 3323.736 + 4699.295 = 8023.31
1075: 3317.691 + 4705.305 = 8022.996
1076: 3318.591 + 4704.454 = 8023.46
1077: 3303.597 + 4719.423 = 8023.21
1078: 3308.435 + 4714.576 = 8023.11
1079: 3310.309 + 4712.698 = 8023.07
1080: 3369.203 + 4653.775 = 8022.978
1081: 3314.743 + 4708.185 = 8022.928
1082: 3313.22 + 4709.886 = 8022.909
1083: 3244.883 + 4778.41 = 8022.925
1084: 3303.831 + 4719.96 = 8022.927
1085: 3327.537 + 4695.382 = 8022.919
1086: 3334.974 + 4687.952 = 8022.927
1087: 3315.657 + 4707.269 = 8022.926
1088: 3340.518 + 4682.481 = 8022.999
1089: 3325.614 + 4697.381 = 8022.995
1090: 3301.472 + 4721.523 = 8022.996
1091: 3342.649 + 4680.374 = 8023.23
1092: 3310.509 + 4712.491 = 8023.00
1093: 3259.56 + 4763.958 = 8023.15
1094: 3343.286 + 4679.738 = 8023.25
1095: 3309.777 + 4713.386 = 8023.163
1096: 3351.517 + 4671.348 = 8022.866
1097: 3344.942 + 4677.909 = 8022.851
1098: 3283.450 + 4739.438 = 8022.888
1099: 3308.720 + 4714.159 = 8022.879
1100: 3329.151 + 4693.710 = 8022.862
1101: 3330.958 + 4691.908 = 8022.867
1102: 3321.559 + 4701.308 = 8022.867
1103: 3166.275 + 4856.581 = 8022.857
1104: 3305.977 + 4716.996 = 8022.974
1105: 3317.818 + 4705.140 = 8022.958
1106: 3310.453 + 4712.540 = 8022.994
1107: 3331.639 + 4691.335 = 8022.975
1108: 3299.321 + 4723.637 = 8022.958
1109: 3301.955 + 4721.12 = 8022.968
1110: 3298.559 + 4724.465 = 8023.24
1111: 3314.481 + 4708.459 = 8022.940
1112: 3330.687 + 4692.558 = 8023.245
1113: 3326.868 + 4696.331 = 8023.199
1114: 3336.154 + 4687.71 = 8023.226
1115: 3330.382 + 4692.829 = 8023.212
1116: 3353.610 + 4669.616 = 8023.227
1117: 3288.227 + 4735.46 = 8023.273
1118: 3327.143 + 4696.126 = 8023.269
1119: 3366.876 + 4656.426 = 8023.303
1120: 3311.530 + 4711.398 = 8022.928
1121: 3363.457 + 4659.463 = 8022.921
1122: 3324.513 + 4698.388 = 8022.901
1123: 3355.959 + 4666.943 = 8022.902
1124: 3317.525 + 4705.405 = 8022.930
1125: 3276.604 + 4746.311 = 8022.916
1126: 3320.94 + 4702.821 = 8022.915
1127: 3310.754 + 4712.240 = 8022.994
1128: 3307.139 + 4715.232 = 8022.372
1129: 3306.295 + 4716.94 = 8022.390
1130: 3370.819 + 4651.490 = 8022.310
1131: 3316.359 + 4705.957 = 8022.316
1132: 3320.726 + 4701.573 = 8022.300
1133: 3337.51 + 4685.263 = 8022.314
1134: 3354.430 + 4667.867 = 8022.298
1135: 3321.184 + 4701.127 = 8022.311
1136: 3303.923 + 4718.958 = 8022.881
1137: 3286.254 + 4736.448 = 8022.702
1138: 3313.43 + 4709.718 = 8022.761
1139: 3331.655 + 4691.33 = 8022.689
1140: 3323.236 + 4699.454 = 8022.690
1141: 3330.187 + 4692.528 = 8022.716
1142: 3379.322 + 4643.368 = 8022.691
1143: 3318.186 + 4704.539 = 8022.726
1144: 3324.993 + 4697.815 = 8022.809
1145: 3338.555 + 4684.261 = 8022.817
1146: 3334.406 + 4688.412 = 8022.818
1147: 3335.810 + 4687.83 = 8022.894
1148: 3349.224 + 4673.598 = 8022.822
1149: 3337.287 + 4685.549 = 8022.836
1150: 3339.883 + 4682.938 = 8022.822
1151: 3364.21 + 4658.800 = 8022.821
1152: 3366.614 + 4656.610 = 8023.224
1153: 3326.247 + 4696.963 = 8023.210
1154: 3313.759 + 4709.480 = 8023.239
1155: 3377.691 + 4645.545 = 8023.237
1156: 3304.135 + 4719.80 = 8023.216
1157: 3335.742 + 4687.467 = 8023.210
1158: 3320.645 + 4702.680 = 8023.325
1159: 3323.579 + 4699.654 = 8023.234
1160: 3336.745 + 4686.263 = 8023.08
1161: 3303.621 + 4719.412 = 8023.34
1162: 3319.119 + 4703.882 = 8023.02
1163: 3339.128 + 4683.900 = 8023.29
1164: 3312.707 + 4710.324 = 8023.32
1165: 3339.313 + 4683.716 = 8023.30
1166: 3381.421 + 4641.615 = 8023.37
1167: 3309.331 + 4713.689 = 8023.20
1168: 3383.578 + 4639.295 = 8022.873
1169: 3315.95 + 4707.782 = 8022.878
1170: 3375.645 + 4647.229 = 8022.874
1171: 3353.524 + 4669.370 = 8022.895
1172: 3339.736 + 4683.233 = 8022.970
1173: 3302.476 + 4720.409 = 8022.885
1174: 3342.809 + 4680.60 = 8022.870
1175: 3335.411 + 4687.466 = 8022.878
1176: 3352.958 + 4669.859 = 8022.818
1177: 3334.722 + 4688.113 = 8022.835
1178: 3330.370 + 4692.536 = 8022.907
1179: 3299.778 + 4723.48 = 8022.827
1180: 3304.368 + 4718.458 = 8022.826
1181: 3333.192 + 4689.709 = 8022.901
1182: 3314.308 + 4708.510 = 8022.819
1183: 3270.792 + 4752.29 = 8022.822
1184: 3302.575 + 4720.690 = 8023.265
1185: 3309.650 + 4713.587 = 8023.238
1186: 3322.158 + 4701.122 = 8023.280
1187: 3312.936 + 4710.334 = 8023.271
1188: 3335.97 + 4688.125 = 8023.223
1189: 3307.313 + 4715.894 = 8023.207
1190: 3291.826 + 4731.388 = 8023.214
1191: 3308.498 + 4714.726 = 8023.224
1192: 3342.82 + 4681.133 = 8023.215
1193: 3297.678 + 4725.544 = 8023.223
1194: 3314.547 + 4708.686 = 8023.233
1195: 3318.157 + 4705.60 = 8023.218
1196: 3320.267 + 4702.946 = 8023.214
1197: 3347.656 + 4675.544 = 8023.200
1198: 3323.788 + 4699.425 = 8023.213
1199: 3335.802 + 4687.452 = 8023.254
1200: 3310.397 + 4712.524 = 8022.922
1201: 3308.477 + 4714.489 = 8022.967
1202: 3294.763 + 4728.121 = 8022.885
1203: 3316.874 + 4706.102 = 8022.977
1204: 3304.14 + 4718.904 = 8022.918
1205: 3294.784 + 4728.204 = 8022.989
1206: 3310.797 + 4712.78 = 8022.875
1207: 3328.975 + 4693.914 = 8022.890
1208: 3315.84 + 4707.882 = 8022.967
1209: 3300.601 + 4722.346 = 8022.947
1210: 3323.430 + 4699.507 = 8022.937
1211: 3320.203 + 4702.757 = 8022.960
1212: 3299.501 + 4723.460 = 8022.962
1213: 3252.852 + 4770.110 = 8022.963
1214: 3279.651 + 4743.305 = 8022.956
1215: 3331.88 + 4691.950 = 8023.39
1216: 3314.331 + 4708.929 = 8023.261
1217: 3344.907 + 4678.346 = 8023.253
1218: 3327.745 + 4695.517 = 8023.263
1219: 3335.485 + 4687.792 = 8023.278
1220: 3348.465 + 4674.898 = 8023.363
1221: 3301.625 + 4721.627 = 8023.252
1222: 3310.794 + 4712.508 = 8023.302
1223: 3310.869 + 4712.378 = 8023.248
1224: 3325.800 + 4697.542 = 8023.343
1225: 3334.577 + 4688.701 = 8023.278
1226: 3320.267 + 4702.998 = 8023.266
1227: 3343.732 + 4679.548 = 8023.280
1228: 3298.698 + 4724.570 = 8023.268
1229: 3304.762 + 4718.516 = 8023.278
1230: 3294.700 + 4728.589 = 8023.290
1231: 3382.104 + 4641.177 = 8023.281
1232: 3278.522 + 4744.135 = 8022.658
1233: 3350.573 + 4672.73 = 8022.647
1234: 3347.121 + 4675.518 = 8022.639
1235: 3370.532 + 4652.131 = 8022.664
1236: 3323.977 + 4698.682 = 8022.659
1237: 3345.934 + 4676.748 = 8022.683
1238: 3403.989 + 4618.665 = 8022.654
1239: 3362.194 + 4660.465 = 8022.660
1240: 3326.351 + 4696.928 = 8023.280
1241: 3321.778 + 4701.493 = 8023.272
1242: 3314.829 + 4708.428 = 8023.258
1243: 3308.634 + 4714.639 = 8023.273
1244: 3288.208 + 4735.98 = 8023.306
1245: 3319.63 + 4704.227 = 8023.291
1246: 3331.617 + 4691.641 = 8023.258
1247: 3273.550 + 4749.802 = 8023.353
1248: 3275.13 + 4748.203 = 8023.217
1249: 3329.88 + 4694.120 = 8023.208
1250: 3314.247 + 4708.968 = 8023.215
1251: 3352.33 + 4671.218 = 8023.251
1252: 3208.409 + 4814.821 = 8023.230
1253: 3329.345 + 4693.878 = 8023.223
1254: 3305.435 + 4717.767 = 8023.202
1255: 3337.209 + 4686.14 = 8023.223
1256: 3335.33 + 4688.91 = 8023.124
1257: 3299.248 + 4723.944 = 8023.193
1258: 3381.00 + 4642.146 = 8023.146
1259: 3324.171 + 4698.964 = 8023.136
1260: 3321.774 + 4701.358 = 8023.133
1261: 3366.816 + 4656.308 = 8023.124
1262: 3331.790 + 4691.348 = 8023.139
1263: 3315.58 + 4708.78 = 8023.136
1264: 3339.255 + 4684.205 = 8023.460
1265: 3340.92 + 4683.364 = 8023.457
1266: 3337.337 + 4686.100 = 8023.437
1267: 3368.444 + 4654.985 = 8023.429
1268: 3320.341 + 4703.172 = 8023.514
1269: 3351.477 + 4671.972 = 8023.449
1270: 3314.176 + 4709.257 = 8023.434
1271: 3348.247 + 4675.193 = 8023.440
1272: 3278.885 + 4744.170 = 8023.56
1273: 3319.270 + 4703.788 = 8023.59
1274: 3303.188 + 4719.876 = 8023.65
1275: 3315.477 + 4707.591 = 8023.68
1276: 3348.684 + 4674.408 = 8023.93
1277: 3278.238 + 4744.818 = 8023.57
1278: 3312.867 + 4710.318 = 8023.186
1279: 3328.807 + 4694.237 = 8023.44
1280: 3372.717 + 4650.04 = 8022.722
1281: 3344.17 + 4678.825 = 8022.843
1282: 3339.816 + 4682.957 = 8022.773
1283: 3318.886 + 4703.845 = 8022.732
1284: 3329.446 + 4693.294 = 8022.740
1285: 3335.747 + 4687.84 = 8022.832
1286: 3313.495 + 4709.226 = 8022.722
1287: 3332.563 + 4690.174 = 8022.738
1288: 3307.380 + 4715.846 = 8023.226
1289: 3308.949 + 4714.258 = 8023.208
1290: 3326.549 + 4696.613 = 8023.163
1291: 3329.459 + 4693.671 = 8023.131
1292: 3315.969 + 4707.176 = 8023.146
1293: 3365.452 + 4657.696 = 8023.148
1294: 3351.118 + 4671.998 = 8023.117
1295: 3318.160 + 4704.978 = 8023.138
1296: 3235.791 + 4787.34 = 8022.825
1297: 3303.577 + 4719.224 = 8022.801
1298: 3327.385 + 4695.426 = 8022.812
1299: 3347.498 + 4675.252 = 8022.751
1300: 3327.268 + 4695.437 = 8022.706
1301: 3337.142 + 4685.673 = 8022.816
1302: 3314.867 + 4707.884 = 8022.752
1303: 3345.385 + 4677.351 = 8022.737
1304: 3310.358 + 4713.42 = 8023.400
1305: 3334.894 + 4688.523 = 8023.418
1306: 3324.110 + 4699.276 = 8023.387
1307: 3281.118 + 4742.250 = 8023.369
1308: 3268.851 + 4754.530 = 8023.381
1309: 3323.415 + 4699.980 = 8023.395
1310: 3301.200 + 4722.151 = 8023.352
1311: 3329.529 + 4693.842 = 8023.372
1312: 3292.900 + 4730.334 = 8023.235
1313: 3350.222 + 4673.24 = 8023.246
1314: 3290.165 + 4733.83 = 8023.249
1315: 3305.432 + 4717.814 = 8023.247
1316: 3355.714 + 4667.626 = 8023.341
1317: 3340.990 + 4682.237 = 8023.227
1318: 3325.223 + 4697.998 = 8023.221
1319: 3300.778 + 4722.453 = 8023.232
1320: 3348.424 + 4674.299 = 8022.724
1321: 3358.411 + 4664.300 = 8022.711
1322: 3316.275 + 4706.445 = 8022.721
1323: 3318.899 + 4703.964 = 8022.864
1324: 3327.223 + 4695.586 = 8022.810
1325: 3307.137 + 4715.599 = 8022.737
1326: 3300.96 + 4722.656 = 8022.753
1327: 3363.731 + 4659.16 = 8022.747
1328: 3285.260 + 4737.464 = 8022.725
1329: 3321.671 + 4701.83 = 8022.754
1330: 3313.848 + 4708.908 = 8022.756
1331: 3303.167 + 4719.590 = 8022.758
1332: 3316.922 + 4705.881 = 8022.803
1333: 3300.588 + 4722.163 = 8022.751
1334: 3366.922 + 4655.985 = 8022.908
1335: 3357.999 + 4664.755 = 8022.755
1336: 3339.830 + 4683.93 = 8022.923
1337: 3316.631 + 4706.290 = 8022.922
1338: 3348.737 + 4674.202 = 8022.940
1339: 3336.324 + 4686.693 = 8023.17
1340: 3334.673 + 4688.261 = 8022.934
1341: 3311.566 + 4711.472 = 8023.39
1342: 3350.516 + 4672.409 = 8022.926
1343: 3333.478 + 4689.495 = 8022.974
1344: 3290.733 + 4732.321 = 8023.54
1345: 3324.77 + 4699.10 = 8023.88
1346: 3335.535 + 4687.522 = 8023.58
1347: 3326.370 + 4696.679 = 8023.50
1348: 3315.854 + 4707.231 = 8023.85
1349: 3305.313 + 4717.739 = 8023.53
1350: 3325.941 + 4697.93 = 8023.34
1351: 3331.739 + 4691.392 = 8023.131
1352: 3312.655 + 4710.231 = 8022.886
1353: 3334.397 + 4688.509 = 8022.906
1354: 3327.254 + 4695.627 = 8022.882
1355: 3306.560 + 4716.326 = 8022.887
1356: 3319.381 + 4703.506 = 8022.888
1357: 3326.914 + 4695.970 = 8022.884
1358: 3265.336 + 4757.545 = 8022.881
1359: 3330.175 + 4692.707 = 8022.882
1360: 3317.261 + 4705.591 = 8022.853
1361: 3334.537 + 4688.184 = 8022.721
1362: 3331.716 + 4691.03 = 8022.719
1363: 3278.497 + 4744.248 = 8022.745
1364: 3299.534 + 4723.205 = 8022.740
1365: 3325.842 + 4696.904 = 8022.746
1366: 3338.806 + 4683.916 = 8022.722
1367: 3333.464 + 4689.295 = 8022.760
1368: 3317.535 + 4705.747 = 8023.283
1369: 3298.558 + 4724.679 = 8023.238
1370: 3296.844 + 4726.378 = 8023.222
1371: 3313.834 + 4709.429 = 8023.263
1372: 3322.909 + 4700.327 = 8023.237
1373: 3264.796 + 4758.409 = 8023.206
1374: 3334.905 + 4688.308 = 8023.213
1375: 3318.205 + 4705.28 = 8023.233
1376: 3312.402 + 4710.750 = 8023.153
1377: 3316.960 + 4706.139 = 8023.100
1378: 3312.950 + 4710.188 = 8023.138
1379: 3322.220 + 4700.881 = 8023.101
1380: 3203.972 + 4819.157 = 8023.130
1381: 3303.995 + 4719.118 = 8023.114
1382: 3332.703 + 4690.512 = 8023.215
1383: 3338.441 + 4684.687 = 8023.128
1384: 3307.945 + 4715.35 = 8022.980
1385: 3331.580 + 4691.402 = 8022.983
1386: 3322.867 + 4700.150 = 8023.17
1387: 3305.762 + 4717.203 = 8022.966
1388: 3304.860 + 4718.107 = 8022.968
1389: 3309.211 + 4713.761 = 8022.972
1390: 3297.898 + 4725.77 = 8022.976
1391: 3328.377 + 4694.604 = 8022.982
1392: 3249.975 + 4772.822 = 8022.798
1393: 3158.935 + 4863.874 = 8022.810
1394: 3321.243 + 4701.556 = 8022.799
1395: 3317.226 + 4705.595 = 8022.821
1396: 3322.270 + 4700.555 = 8022.825
1397: 3342.314 + 4680.651 = 8022.965
1398: 3401.565 + 4621.243 = 8022.808
1399: 3350.393 + 4672.424 = 8022.817
1400: 3425.857 + 4597.523 = 8023.381
1401: 3387.547 + 4635.836 = 8023.383
1402: 3430.83 + 4593.311 = 8023.394
1403: 3412.23 + 4611.399 = 8023.422
1404: 3412.570 + 4610.824 = 8023.395
1405: 3413.174 + 4610.218 = 8023.392
1406: 3398.137 + 4625.279 = 8023.416
1407: 3421.669 + 4601.722 = 8023.392
1408: 3323.427 + 4699.986 = 8023.413
1409: 3299.70 + 4724.473 = 8023.544
1410: 3294.447 + 4728.933 = 8023.380
1411: 3341.465 + 4681.938 = 8023.403
1412: 3310.810 + 4712.572 = 8023.383
1413: 3326.198 + 4697.192 = 8023.390
1414: 3342.779 + 4680.637 = 8023.417
1415: 3314.153 + 4709.264 = 8023.417
1416: 3304.285 + 4718.669 = 8022.955
1417: 3339.547 + 4683.327 = 8022.875
1418: 3312.04 + 4710.860 = 8022.865
1419: 3342.227 + 4680.654 = 8022.881
1420: 3327.281 + 4695.634 = 8022.916
1421: 3334.331 + 4688.503 = 8022.834
1422: 3318.664 + 4704.184 = 8022.848
1423: 3329.411 + 4693.438 = 8022.850
1424: 3298.762 + 4723.821 = 8022.584
1425: 3335.791 + 4686.687 = 8022.478
1426: 3312.339 + 4710.194 = 8022.534
1427: 3349.33 + 4673.476 = 8022.510
1428: 3308.938 + 4713.560 = 8022.498
1429: 3336.389 + 4686.84 = 8022.474
1430: 3295.891 + 4726.692 = 8022.583
1431: 3244.153 + 4778.290 = 8022.444
1432: 3311.536 + 4712.19 = 8023.556
1433: 3349.99 + 4674.488 = 8023.588
1434: 3308.326 + 4715.243 = 8023.570
1435: 3316.138 + 4707.406 = 8023.544
1436: 3298.433 + 4725.131 = 8023.564
1437: 3304.930 + 4718.605 = 8023.536
1438: 3310.342 + 4713.221 = 8023.563
1439: 3315.577 + 4707.989 = 8023.566
1440: 3348.308 + 4674.916 = 8023.225
1441: 3332.230 + 4691.05 = 8023.236
1442: 3360.15 + 4663.209 = 8023.225
1443: 3341.913 + 4681.325 = 8023.239
1444: 3313.449 + 4709.828 = 8023.278
1445: 3328.375 + 4694.856 = 8023.231
1446: 3332.492 + 4690.740 = 8023.232
1447: 3326.384 + 4696.937 = 8023.321
1448: 3319.736 + 4703.713 = 8023.450
1449: 3323.394 + 4700.77 = 8023.471
1450: 3304.513 + 4718.939 = 8023.453
1451: 3361.835 + 4661.656 = 8023.491
1452: 3324.94 + 4699.404 = 8023.499
1453: 3321.91 + 4702.352 = 8023.444
1454: 3319.485 + 4703.970 = 8023.456
1455: 3315.618 + 4707.855 = 8023.473
1456: 3291.438 + 4731.817 = 8023.255
1457: 3317.11 + 4706.239 = 8023.251
1458: 3295.12 + 4728.214 = 8023.227
1459: 3375.754 + 4647.485 = 8023.240
1460: 3263.723 + 4759.514 = 8023.238
1461: 3287.614 + 4735.677 = 8023.291
1462: 3254.361 + 4768.876 = 8023.238
1463: 3278.316 + 4744.931 = 8023.248
1464: 3320.624 + 4702.623 = 8023.248
1465: 3292.384 + 4730.799 = 8023.183
1466: 3315.799 + 4707.378 = 8023.177
1467: 3324.477 + 4698.694 = 8023.172
1468: 3333.585 + 4689.592 = 8023.177
1469: 3291.136 + 4732.25 = 8023.161
1470: 3316.606 + 4706.590 = 8023.196
1471: 3338.978 + 4684.205 = 8023.183
1472: 3362.794 + 4660.392 = 8023.186
1473: 3327.108 + 4696.101 = 8023.209
1474: 3301.829 + 4721.419 = 8023.248
1475: 3323.322 + 4699.897 = 8023.219
1476: 3289.309 + 4733.882 = 8023.192
1477: 3330.563 + 4692.638 = 8023.201
1478: 3562.552 + 4460.677 = 8023.229
1479: 3345.364 + 4677.842 = 8023.206
1480: 3326.469 + 4696.736 = 8023.205
1481: 3290.480 + 4732.685 = 8023.166
1482: 3308.382 + 4714.736 = 8023.118
1483: 3317.857 + 4705.232 = 8023.90
1484: 3322.221 + 4700.896 = 8023.118
1485: 3325.245 + 4697.865 = 8023.111
1486: 3309.275 + 4713.834 = 8023.109
1487: 3342.454 + 4680.633 = 8023.87
1488: 3332.104 + 4690.807 = 8022.912
1489: 3303.358 + 4719.477 = 8022.836
1490: 3311.480 + 4711.348 = 8022.829
1491: 3324.247 + 4698.617 = 8022.865
1492: 3313.300 + 4709.534 = 8022.835
1493: 3329.317 + 4693.513 = 8022.831
1494: 3258.690 + 4764.139 = 8022.829
1495: 3366.429 + 4656.418 = 8022.847
1496: 3322.387 + 4700.569 = 8022.957
1497: 3320.452 + 4702.485 = 8022.938
1498: 3351.295 + 4671.653 = 8022.949
1499: 3306.426 + 4716.526 = 8022.953
1500: 3303.610 + 4719.463 = 8023.74
1501: 3314.733 + 4708.242 = 8022.976
1502: 3288.413 + 4734.576 = 8022.990
1503: 3345.712 + 4677.262 = 8022.975
1504: 3370.313 + 4653.204 = 8023.517
1505: 3329.990 + 4693.572 = 8023.563
1506: 3353.273 + 4670.298 = 8023.572
1507: 3319.525 + 4703.983 = 8023.509
1508: 3327.229 + 4696.300 = 8023.530
1509: 3350.625 + 4672.867 = 8023.493
1510: 3325.776 + 4697.766 = 8023.543
1511: 3354.610 + 4668.919 = 8023.529
1512: 3308.285 + 4714.649 = 8022.935
1513: 3333.412 + 4689.506 = 8022.919
1514: 3347.683 + 4675.231 = 8022.915
1515: 3348.902 + 4674.33 = 8022.936
1516: 3291.268 + 4731.644 = 8022.912
1517: 3336.15 + 4686.914 = 8022.929
1518: 3309.237 + 4713.672 = 8022.909
1519: 3344.863 + 4678.120 = 8022.984
1520: 3302.525 + 4720.323 = 8022.849
1521: 3327.459 + 4695.400 = 8022.859
1522: 3316.861 + 4705.965 = 8022.827
1523: 3325.782 + 4697.65 = 8022.848
1524: 3322.274 + 4700.551 = 8022.826
1525: 3315.47 + 4707.792 = 8022.839
1526: 3292.78 + 4730.795 = 8022.873
1527: 3332.906 + 4689.942 = 8022.848
1528: 3320.16 + 4702.814 = 8022.831
1529: 3306.14 + 4716.844 = 8022.859
1530: 3312.668 + 4710.171 = 8022.840
1531: 3351.980 + 4670.833 = 8022.814
1532: 3315.532 + 4707.274 = 8022.806
1533: 3321.177 + 4701.719 = 8022.896
1534: 3339.799 + 4683.29 = 8022.828
1535: 3313.229 + 4709.608 = 8022.837
1536: 3324.367 + 4698.748 = 8023.115
1537: 3307.646 + 4715.459 = 8023.105
1538: 3312.920 + 4710.243 = 8023.163
1539: 3326.17 + 4697.71 = 8023.88
1540: 3312.930 + 4710.158 = 8023.89
1541: 3289.777 + 4733.326 = 8023.104
1542: 3307.773 + 4715.385 = 8023.159
1543: 3293.524 + 4729.566 = 8023.91
1544: 3366.66 + 4657.217 = 8023.283
1545: 3361.676 + 4661.624 = 8023.300
1546: 3358.637 + 4664.665 = 8023.302
1547: 3340.148 + 4683.146 = 8023.295
1548: 3356.455 + 4666.896 = 8023.351
1549: 3377.521 + 4645.776 = 8023.298
1550: 3337.975 + 4685.344 = 8023.319
1551: 3334.747 + 4688.542 = 8023.289
1552: 3308.81 + 4714.940 = 8023.22
1553: 3296.412 + 4726.493 = 8022.906
1554: 3313.333 + 4709.592 = 8022.926
1555: 3310.198 + 4712.726 = 8022.925
1556: 3305.114 + 4717.825 = 8022.939
1557: 3315.219 + 4707.695 = 8022.915
1558: 3294.815 + 4728.126 = 8022.941
1559: 3387.486 + 4635.432 = 8022.918
1560: 3371.590 + 4651.152 = 8022.743
1561: 3330.496 + 4692.268 = 8022.765
1562: 3378.247 + 4644.431 = 8022.679
1563: 3323.793 + 4698.918 = 8022.711
1564: 3343.366 + 4679.313 = 8022.679
1565: 3305.260 + 4717.399 = 8022.660
1566: 3363.228 + 4659.445 = 8022.673
1567: 3362.330 + 4660.336 = 8022.666
1568: 3309.05 + 4713.725 = 8022.731
1569: 3312.308 + 4710.429 = 8022.738
1570: 3347.458 + 4675.295 = 8022.754
1571: 3309.55 + 4713.683 = 8022.739
1572: 3297.456 + 4725.292 = 8022.749
1573: 3325.474 + 4697.304 = 8022.778
1574: 3300.145 + 4722.596 = 8022.742
1575: 3314.822 + 4707.980 = 8022.803
1576: 3303.419 + 4719.574 = 8022.994
1577: 3300.274 + 4722.708 = 8022.982
1578: 3338.485 + 4684.530 = 8023.15
1579: 3316.369 + 4706.607 = 8022.977
1580: 3315.360 + 4707.691 = 8023.51
1581: 3334.245 + 4688.755 = 8023.00
1582: 3329.764 + 4693.246 = 8023.10
1583: 3321.654 + 4701.335 = 8022.989
1584: 3308.927 + 4714.76 = 8023.04
1585: 3280.193 + 4742.728 = 8022.922
1586: 3301.632 + 4721.258 = 8022.890
1587: 3303.681 + 4719.207 = 8022.889
1588: 3322.247 + 4700.657 = 8022.904
1589: 3311.518 + 4711.360 = 8022.878
1590: 3303.978 + 4718.964 = 8022.942
1591: 3293.473 + 4729.430 = 8022.904
1592: 3301.658 + 4721.280 = 8022.939
1593: 3321.587 + 4701.418 = 8023.06
1594: 3340.162 + 4682.771 = 8022.933
1595: 3329.333 + 4693.576 = 8022.910
1596: 3301.26 + 4721.904 = 8022.931
1597: 3240.278 + 4782.632 = 8022.910
1598: 3302.729 + 4720.193 = 8022.923
1599: 3293.686 + 4729.214 = 8022.901
1600: 3324.207 + 4698.601 = 8022.809
1601: 3318.761 + 4704.119 = 8022.881
1602: 3338.641 + 4684.178 = 8022.819
1603: 3311.669 + 4711.259 = 8022.929
1604: 3322.54 + 4700.753 = 8022.807
1605: 3360.79 + 4662.724 = 8022.803
1606: 3297.314 + 4725.487 = 8022.801
1607: 3318.874 + 4703.915 = 8022.790
1608: 3335.257 + 4688.05 = 8023.262
1609: 3343.208 + 4680.22 = 8023.231
1610: 3316.207 + 4706.996 = 8023.203
1611: 3329.197 + 4694.36 = 8023.234
1612: 3308.624 + 4714.606 = 8023.230
1613: 3304.168 + 4719.23 = 8023.192
1614: 3296.83 + 4727.111 = 8023.194
1615: 3334.970 + 4688.232 = 8023.203
1616: 3336.415 + 4686.237 = 8022.652
1617: 3325.916 + 4696.829 = 8022.745
1618: 3359.860 + 4662.788 = 8022.648
1619: 3312.220 + 4710.444 = 8022.665
1620: 3348.265 + 4674.370 = 8022.636
1621: 3304.624 + 4718.15 = 8022.640
1622: 3312.692 + 4709.929 = 8022.622
1623: 3305.637 + 4716.995 = 8022.633
1624: 3314.616 + 4708.377 = 8022.994
1625: 3358.292 + 4664.703 = 8022.995
1626: 3329.257 + 4693.715 = 8022.972
1627: 3295.136 + 4727.842 = 8022.978
1628: 3302.375 + 4720.609 = 8022.984
1629: 3321.857 + 4701.114 = 8022.972
1630: 3314.618 + 4708.358 = 8022.977
1631: 3317.868 + 4705.125 = 8022.993
1632: 3320.125 + 4702.725 = 8022.850
1633: 3328.866 + 4694.52 = 8022.919
1634: 3316.72 + 4706.741 = 8022.813
1635: 3295.773 + 4727.36 = 8022.809
1636: 3285.952 + 4736.828 = 8022.780
1637: 3316.155 + 4706.680 = 8022.836
1638: 3339.675 + 4683.161 = 8022.836
1639: 3384.165 + 4638.624 = 8022.790
1640: 3353.63 + 4669.837 = 8022.901
1641: 3321.31 + 4701.896 = 8022.928
1642: 3323.734 + 4699.190 = 8022.924
1643: 3314.636 + 4708.274 = 8022.910
1644: 3330.442 + 4692.493 = 8022.936
1645: 3325.312 + 4697.602 = 8022.915
1646: 3328.486 + 4694.427 = 8022.913
1647: 3327.476 + 4695.450 = 8022.926
1648: 3344.307 + 4678.584 = 8022.892
1649: 3289.318 + 4733.662 = 8022.980
1650: 3337.86 + 4685.829 = 8022.916
1651: 3347.661 + 4675.231 = 8022.893
1652: 3343.903 + 4679.48 = 8022.951
1653: 3321.512 + 4701.376 = 8022.888
1654: 3350.666 + 4672.235 = 8022.901
1655: 3349.719 + 4673.194 = 8022.914
1656: 3341.14 + 4681.955 = 8022.970
1657: 3322.776 + 4700.212 = 8022.989
1658: 3357.937 + 4665.09 = 8022.947
1659: 3320.640 + 4702.305 = 8022.946
1660: 3322.653 + 4700.288 = 8022.942
1661: 3332.805 + 4690.262 = 8023.67
1662: 3304.593 + 4718.357 = 8022.950
1663: 3278.565 + 4744.386 = 8022.951
1664: 3342.645 + 4679.830 = 8022.475
1665: 3325.120 + 4697.348 = 8022.469
1666: 3324.111 + 4698.354 = 8022.466
1667: 3316.393 + 4706.77 = 8022.471
1668: 3256.463 + 4765.995 = 8022.459
1669: 3299.131 + 4723.336 = 8022.467
1670: 3324.410 + 4698.41 = 8022.452
1671: 3310.29 + 4712.425 = 8022.455
1672: 3301.900 + 4721.51 = 8022.952
1673: 3335.860 + 4687.174 = 8023.35
1674: 3314.467 + 4708.478 = 8022.946
1675: 3360.554 + 4662.383 = 8022.938
1676: 3323.554 + 4699.388 = 8022.943
1677: 3315.604 + 4707.381 = 8022.985
1678: 3325.986 + 4696.989 = 8022.976
1679: 3321.849 + 4701.105 = 8022.954
1680: 3329.760 + 4693.47 = 8022.808
1681: 3354.703 + 4668.102 = 8022.806
1682: 3317.119 + 4705.671 = 8022.790
1683: 3325.810 + 4697.17 = 8022.828
1684: 3309.645 + 4713.157 = 8022.802
1685: 3298.308 + 4724.502 = 8022.810
1686: 3315.02 + 4707.764 = 8022.767
1687: 3345.645 + 4677.139 = 8022.784
1688: 3321.30 + 4701.918 = 8022.948
1689: 3335.509 + 4687.424 = 8022.934
1690: 3330.954 + 4691.955 = 8022.909
1691: 3345.326 + 4677.599 = 8022.925
1692: 3305.108 + 4717.791 = 8022.899
1693: 3316.666 + 4706.272 = 8022.938
1694: 3292.858 + 4730.86 = 8022.945
1695: 3354.445 + 4668.547 = 8022.992
1696: 3304.870 + 4718.59 = 8022.929
1697: 3292.499 + 4730.392 = 8022.891
1698: 3298.749 + 4724.108 = 8022.858
1699: 3327.776 + 4695.86 = 8022.863
1700: 3337.359 + 4685.508 = 8022.868
1701: 3328.24 + 4694.860 = 8022.885
1702: 3289.355 + 4733.490 = 8022.845
1703: 3308.966 + 4713.869 = 8022.835
1704: 3332.118 + 4690.641 = 8022.759
1705: 3315.789 + 4706.921 = 8022.710
1706: 3317.366 + 4705.341 = 8022.708
1707: 3290.304 + 4732.470 = 8022.775
1708: 3312.233 + 4710.493 = 8022.727
1709: 3314.854 + 4707.847 = 8022.702
1710: 3339.478 + 4683.235 = 8022.714
1711: 3300.476 + 4722.214 = 8022.691
1712: 3328.798 + 4694.38 = 8022.837
1713: 3298.439 + 4724.353 = 8022.792
1714: 3322.756 + 4700.46 = 8022.802
1715: 3315.457 + 4707.355 = 8022.812
1716: 3382.686 + 4640.141 = 8022.828
1717: 3318.409 + 4704.401 = 8022.810
1718: 3315.573 + 4707.263 = 8022.836
1719: 3346.793 + 4676.38 = 8022.831
1720: 3333.225 + 4689.576 = 8022.801
1721: 3320.531 + 4702.241 = 8022.772
1722: 3329.69 + 4693.706 = 8022.775
1723: 3306.709 + 4716.49 = 8022.758
1724: 3306.825 + 4715.964 = 8022.790
1725: 3313.515 + 4709.301 = 8022.817
1726: 3316.877 + 4705.898 = 8022.775
1727: 3282.248 + 4740.516 = 8022.764
1728: 3324.567 + 4698.314 = 8022.881
1729: 3299.853 + 4723.73 = 8022.926
1730: 3335.307 + 4687.645 = 8022.953
1731: 3312.597 + 4710.312 = 8022.910
1732: 3333.695 + 4689.195 = 8022.891
1733: 3303.885 + 4718.983 = 8022.869
1734: 3307.490 + 4715.414 = 8022.904
1735: 3296.208 + 4726.699 = 8022.908
1736: 3311.809 + 4710.876 = 8022.686
1737: 3354.397 + 4668.259 = 8022.657
1738: 3318.990 + 4703.669 = 8022.659
1739: 3308.981 + 4713.701 = 8022.683
1740: 3243.283 + 4779.366 = 8022.649
1741: 3327.471 + 4695.228 = 8022.699
1742: 3320.512 + 4702.154 = 8022.667
1743: 3328.687 + 4693.981 = 8022.668
1744: 3283.745 + 4739.296 = 8023.42
1745: 3307.606 + 4715.505 = 8023.112
1746: 3298.192 + 4724.913 = 8023.106
1747: 3318.65 + 4704.969 = 8023.35
1748: 3318.945 + 4704.61 = 8023.07
1749: 3355.995 + 4667.33 = 8023.29
1750: 3319.90 + 4703.936 = 8023.27
1751: 3298.752 + 4724.282 = 8023.34
1752: 3334.643 + 4688.14 = 8022.657
1753: 3306.503 + 4716.178 = 8022.682
1754: 3313.55 + 4709.623 = 8022.679
1755: 3327.274 + 4695.408 = 8022.683
1756: 3310.948 + 4711.718 = 8022.667
1757: 3296.755 + 4726.58 = 8022.814
1758: 3289.610 + 4733.71 = 8022.681
1759: 3320.266 + 4702.418 = 8022.684
1760: 3326.609 + 4696.425 = 8023.35
1761: 3315.403 + 4707.610 = 8023.14
1762: 3318.869 + 4704.129 = 8022.999
1763: 3328.557 + 4694.452 = 8023.10
1764: 3307.418 + 4715.606 = 8023.24
1765: 3339.253 + 4683.730 = 8022.984
1766: 3303.05 + 4719.990 = 8022.995
1767: 3383.42 + 4639.986 = 8023.29
1768: 3309.75 + 4713.336 = 8022.412
1769: 3329.291 + 4693.80 = 8022.372
1770: 3315.253 + 4707.226 = 8022.479
1771: 3335.181 + 4687.262 = 8022.443
1772: 3386.470 + 4635.983 = 8022.453
1773: 3325.887 + 4696.531 = 8022.418
1774: 3293.671 + 4728.745 = 8022.417
1775: 3293.383 + 4729.88 = 8022.471
1776: 3345.541 + 4677.391 = 8022.932
1777: 3152.175 + 4870.733 = 8022.909
1778: 3317.691 + 4705.237 = 8022.928
1779: 3319.610 + 4703.310 = 8022.920
1780: 3341.457 + 4681.523 = 8022.980
1781: 3303.06 + 4719.917 = 8022.923
1782: 3335.485 + 4687.441 = 8022.927
1783: 3298.127 + 4724.800 = 8022.927
1784: 3336.832 + 4686.114 = 8022.946
1785: 3300.161 + 4722.711 = 8022.873
1786: 3300.662 + 4722.194 = 8022.857
1787: 3339.813 + 4683.37 = 8022.850
1788: 3305.303 + 4717.538 = 8022.842
1789: 3328.170 + 4694.690 = 8022.860
1790: 3348.09 + 4674.834 = 8022.844
1791: 3322.128 + 4700.728 = 8022.856
1792: 3312.222 + 4711.00 = 8023.223
1793: 3300.798 + 4722.367 = 8023.165
1794: 3340.442 + 4682.720 = 8023.162
1795: 3333.563 + 4689.608 = 8023.172
1796: 3297.295 + 4725.851 = 8023.147
1797: 3297.150 + 4726.02 = 8023.153
1798: 3313.722 + 4709.443 = 8023.166
1799: 3313.592 + 4709.629 = 8023.222
1800: 3280.756 + 4742.793 = 8023.549
1801: 3334.203 + 4689.347 = 8023.550
1802: 3280.27 + 4743.527 = 8023.555
1803: 3315.84 + 4708.439 = 8023.524
1804: 3318.717 + 4704.818 = 8023.535
1805: 3324.145 + 4699.477 = 8023.622
1806: 3302.337 + 4721.193 = 8023.531
1807: 3293.28 + 4730.491 = 8023.520
1808: 3327.575 + 4695.266 = 8022.841
1809: 3357.14 + 4665.831 = 8022.845
1810: 3280.232 + 4742.601 = 8022.833
1811: 3321.497 + 4701.361 = 8022.858
1812: 3336.779 + 4686.75 = 8022.855
1813: 3302.641 + 4720.217 = 8022.859
1814: 3311.886 + 4710.945 = 8022.831
1815: 3340.847 + 4681.989 = 8022.837
1816: 3339.579 + 4683.291 = 8022.870
1817: 3312.323 + 4710.533 = 8022.857
1818: 3292.624 + 4730.238 = 8022.863
1819: 3312.861 + 4710.21 = 8022.882
1820: 3367.692 + 4655.188 = 8022.880
1821: 3312.977 + 4709.884 = 8022.862
1822: 3303.913 + 4718.958 = 8022.871
1823: 3306.631 + 4716.255 = 8022.887
1824: 3304.430 + 4718.885 = 8023.316
1825: 3277.713 + 4745.664 = 8023.378
1826: 3309.472 + 4713.822 = 8023.294
1827: 3378.160 + 4645.141 = 8023.301
1828: 3308.682 + 4714.619 = 8023.302
1829: 3284.929 + 4738.360 = 8023.289
1830: 3337.533 + 4685.767 = 8023.300
1831: 3325.967 + 4697.337 = 8023.304
1832: 3337.859 + 4685.413 = 8023.273
1833: 3324.110 + 4699.177 = 8023.288
1834: 3324.936 + 4698.355 = 8023.291
1835: 3303.317 + 4720.81 = 8023.398
1836: 3318.118 + 4705.161 = 8023.279
1837: 3301.592 + 4721.681 = 8023.273
1838: 3335.734 + 4687.578 = 8023.313
1839: 3321.440 + 4701.856 = 8023.297
1840: 3321.22 + 4702.46 = 8023.69
1841: 3301.425 + 4721.527 = 8022.953
1842: 3295.184 + 4727.784 = 8022.968
1843: 3326.534 + 4696.424 = 8022.958
1844: 3324.623 + 4698.325 = 8022.949
1845: 3310.393 + 4712.604 = 8022.997
1846: 3334.840 + 4688.137 = 8022.978
1847: 3318.633 + 4704.329 = 8022.963
1848: 3350.71 + 4673.204 = 8023.275
1849: 3331.407 + 4691.862 = 8023.270
1850: 3317.862 + 4705.408 = 8023.270
1851: 3322.234 + 4701.27 = 8023.262
1852: 3288.662 + 4734.644 = 8023.306
1853: 3361.113 + 4662.173 = 8023.287
1854: 3319.313 + 4703.935 = 8023.248
1855: 3304.574 + 4718.679 = 8023.254
1856: 3337.285 + 4685.808 = 8023.93
1857: 3296.18 + 4727.63 = 8023.82
1858: 3316.513 + 4706.564 = 8023.77
1859: 3304.467 + 4718.607 = 8023.74
1860: 3290.918 + 4732.178 = 8023.96
1861: 3299.932 + 4723.141 = 8023.73
1862: 3318.215 + 4704.890 = 8023.105
1863: 3345.149 + 4677.943 = 8023.92
1864: 3313.16 + 4709.796 = 8022.813
1865: 3291.942 + 4730.837 = 8022.780
1866: 3322.800 + 4700.83 = 8022.884
1867: 3307.730 + 4715.57 = 8022.787
1868: 3347.68 + 4675.800 = 8022.868
1869: 3319.228 + 4703.542 = 8022.771
1870: 3315.542 + 4707.219 = 8022.762
1871: 3351.500 + 4671.328 = 8022.829
1872: 3319.397 + 4703.883 = 8023.280
1873: 3324.172 + 4699.86 = 8023.259
1874: 3315.774 + 4707.621 = 8023.396
1875: 3341.451 + 4681.809 = 8023.260
1876: 3323.283 + 4699.986 = 8023.269
1877: 3310.763 + 4712.516 = 8023.279
1878: 3344.61 + 4679.195 = 8023.256
1879: 3318.670 + 4704.601 = 8023.271
1880: 3327.782 + 4695.399 = 8023.182
1881: 3333.363 + 4689.828 = 8023.191
1882: 3327.77 + 4696.67 = 8023.144
1883: 3330.273 + 4693.21 = 8023.294
1884: 3331.46 + 4692.114 = 8023.160
1885: 3278.681 + 4744.499 = 8023.181
1886: 3342.610 + 4680.547 = 8023.158
1887: 3321.819 + 4701.323 = 8023.142
1888: 3310.144 + 4713.377 = 8023.522
1889: 3301.996 + 4721.534 = 8023.531
1890: 3291.779 + 4731.763 = 8023.542
1891: 3283.131 + 4740.402 = 8023.534
1892: 3267.831 + 4755.754 = 8023.585
1893: 3247.572 + 4776.55 = 8023.627
1894: 3286.646 + 4736.869 = 8023.515
1895: 3255.932 + 4767.605 = 8023.537
1896: 3320.64 + 4703.218 = 8023.283
1897: 3252.439 + 4770.832 = 8023.272
1898: 3307.913 + 4715.352 = 8023.266
1899: 3323.512 + 4699.749 = 8023.262
1900: 3280.611 + 4742.739 = 8023.350
1901: 3305.611 + 4717.673 = 8023.284
1902: 3334.945 + 4688.303 = 8023.249
1903: 3344.778 + 4678.507 = 8023.286
1904: 3363.443 + 4659.717 = 8023.160
1905: 3358.35 + 4665.146 = 8023.182
1906: 3280.981 + 4742.178 = 8023.159
1907: 3322.558 + 4700.587 = 8023.145
1908: 3336.938 + 4686.242 = 8023.180
1909: 3318.555 + 4704.597 = 8023.153
1910: 3333.392 + 4689.781 = 8023.173
1911: 3303.846 + 4719.313 = 8023.160
1912: 3310.497 + 4712.465 = 8022.963
1913: 3310.18 + 4712.901 = 8022.920
1914: 3334.295 + 4688.612 = 8022.908
1915: 3276.732 + 4746.188 = 8022.920
1916: 3293.805 + 4729.93 = 8022.899
1917: 3308.379 + 4714.575 = 8022.954
1918: 3301.225 + 4721.707 = 8022.932
1919: 3317.201 + 4705.692 = 8022.894
1920: 3299.562 + 4723.718 = 8023.281
1921: 3338.802 + 4684.503 = 8023.305
1922: 3327.616 + 4695.637 = 8023.254
1923: 3312.436 + 4710.821 = 8023.258
1924: 3395.446 + 4627.828 = 8023.274
1925: 3337.312 + 4686.74 = 8023.386
1926: 3315.568 + 4707.686 = 8023.254
1927: 3318.748 + 4704.520 = 8023.269
1928: 3337.643 + 4685.916 = 8023.559
1929: 3310.403 + 4713.99 = 8023.502
1930: 3311.823 + 4711.755 = 8023.578
1931: 3281.638 + 4741.862 = 8023.501
1932: 3304.785 + 4718.693 = 8023.478
1933: 3327.138 + 4696.354 = 8023.492
1934: 3305.278 + 4718.201 = 8023.480
1935: 3319.88 + 4704.423 = 8023.511
1936: 3257.97 + 4766.77 = 8023.175
1937: 3310.298 + 4712.887 = 8023.185
1938: 3315.645 + 4707.509 = 8023.155
1939: 3289.757 + 4733.393 = 8023.150
1940: 3291.457 + 4731.753 = 8023.210
1941: 3316.269 + 4706.874 = 8023.144
1942: 3405.534 + 4617.632 = 8023.167
1943: 3310.416 + 4712.785 = 8023.201
1944: 3333.721 + 4689.381 = 8023.102
1945: 3313.644 + 4709.463 = 8023.108
1946: 3306.330 + 4716.822 = 8023.153
1947: 3313.709 + 4709.377 = 8023.87
1948: 3313.142 + 4709.936 = 8023.78
1949: 3324.569 + 4698.536 = 8023.105
1950: 3315.485 + 4707.592 = 8023.77
1951: 3360.263 + 4662.935 = 8023.199
1952: 3298.821 + 4724.705 = 8023.527
1953: 3272.725 + 4750.787 = 8023.513
1954: 3326.364 + 4697.135 = 8023.499
1955: 3252.474 + 4771.28 = 8023.503
1956: 3304.777 + 4718.753 = 8023.530
1957: 3309.693 + 4713.821 = 8023.515
1958: 3298.231 + 4725.284 = 8023.516
1959: 3324.443 + 4699.82 = 8023.525
1960: 3325.319 + 4697.866 = 8023.186
1961: 3297.585 + 4725.581 = 8023.167
1962: 3312.751 + 4710.449 = 8023.201
1963: 3306.733 + 4716.476 = 8023.210
1964: 3375.05 + 4648.172 = 8023.178
1965: 3325.847 + 4697.334 = 8023.181
1966: 3284.893 + 4738.281 = 8023.174
1967: 3344.760 + 4678.430 = 8023.190
1968: 3285.05 + 4738.457 = 8023.463
1969: 3311.548 + 4711.918 = 8023.466
1970: 3366.32 + 4657.428 = 8023.461
1971: 3291.804 + 4731.641 = 8023.446
1972: 3324.759 + 4698.704 = 8023.463
1973: 3321.621 + 4701.851 = 8023.472
1974: 3331.89 + 4692.406 = 8023.495
1975: 3337.378 + 4686.67 = 8023.446
1976: 3326.220 + 4696.868 = 8023.89
1977: 3317.383 + 4705.694 = 8023.77
1978: 3315.876 + 4707.213 = 8023.89
1979: 3287.913 + 4735.171 = 8023.84
1980: 3286.525 + 4736.553 = 8023.78
1981: 3285.975 + 4737.133 = 8023.108
1982: 3329.240 + 4693.838 = 8023.78
1983: 3277.411 + 4745.751 = 8023.163
1984: 3339.391 + 4683.708 = 8023.100
1985: 3282.996 + 4740.94 = 8023.91
1986: 3369.585 + 4653.513 = 8023.99
1987: 3331.448 + 4691.632 = 8023.80
1988: 3318.494 + 4704.600 = 8023.94
1989: 3301.17 + 4722.120 = 8023.138
1990: 3291.342 + 4731.820 = 8023.162
1991: 3366.990 + 4656.74 = 8023.64
1992: 3380.46 + 4642.760 = 8022.807
1993: 3337.248 + 4685.556 = 8022.804
1994: 3326.765 + 4696.43 = 8022.809
1995: 3326.308 + 4696.551 = 8022.860
1996: 3322.586 + 4700.220 = 8022.807
1997: 3316.268 + 4706.509 = 8022.778
1998: 3338.224 + 4684.576 = 8022.801
1999: 3280.578 + 4742.279 = 8022.858
2000: 3242.193 + 4780.458 = 8022.651
2001: 3329.722 + 4692.927 = 8022.649
2002: 3320.92 + 4702.577 = 8022.670
2003: 3333.811 + 4688.855 = 8022.667
2004: 3316.958 + 4705.761 = 8022.720
2005: 3282.612 + 4740.29 = 8022.641
2006: 3333.66 + 4689.557 = 8022.624
2007: 3286.502 + 4736.130 = 8022.633
2008: 3345.786 + 4676.996 = 8022.783
2009: 3309.146 + 4713.666 = 8022.813
2010: 3339.170 + 4683.619 = 8022.790
2011: 3317.953 + 4704.967 = 8022.920
2012: 3381.768 + 4641.32 = 8022.800
2013: 3326.974 + 4695.861 = 8022.836
2014: 3323.926 + 4698.923 = 8022.849
2015: 3337.727 + 4685.76 = 8022.803
2016: 3342.786 + 4680.48 = 8022.835
2017: 3310.589 + 4712.337 = 8022.927
2018: 3287.499 + 4735.338 = 8022.838
2019: 3327.659 + 4695.187 = 8022.846
2020: 3303.209 + 4719.606 = 8022.816
2021: 3362.896 + 4659.940 = 8022.836
2022: 3327.907 + 4694.917 = 8022.824
2023: 3303.379 + 4719.447 = 8022.827
2024: 3289.233 + 4733.695 = 8022.928
2025: 3317.150 + 4705.781 = 8022.931
2026: 3320.355 + 4702.587 = 8022.942
2027: 3302.277 + 4720.623 = 8022.901
2028: 3323.678 + 4699.269 = 8022.947
2029: 3293.384 + 4729.682 = 8023.67
2030: 3321.849 + 4701.97 = 8022.946
2031: 3304.489 + 4718.446 = 8022.936
2032: 3317.519 + 4705.666 = 8023.186
2033: 3297.695 + 4725.457 = 8023.152
2034: 3314.626 + 4708.535 = 8023.162
2035: 3299.120 + 4724.72 = 8023.193
2036: 3323.142 + 4700.14 = 8023.156
2037: 3313.733 + 4709.439 = 8023.172
2038: 3317.258 + 4705.896 = 8023.155
2039: 3328.472 + 4694.684 = 8023.156
2040: 3311.978 + 4710.932 = 8022.911
2041: 3349.457 + 4673.431 = 8022.888
2042: 3320.281 + 4702.616 = 8022.898
2043: 3324.239 + 4698.688 = 8022.928
2044: 3319.114 + 4703.830 = 8022.944
2045: 3287.50 + 4735.844 = 8022.894
2046: 3298.375 + 4724.518 = 8022.894
2047: 3358.990 + 4663.888 = 8022.878
----------------------------------------
----- accounting info -----
Files used on the parent node frontier00120 were:
Sat 05 Aug 2023 03:48:38 AM EDT
4.598u 8.111s 2:14:13.64 0.1% 0+0k 17818+1832io 56pf+0w