( CALCULATION OF VIBRATION ENERGIES FOR h2co MOLECULE ) mem 230 gb KinOrder 6 (Max order in the kinetic energy expansion) PotOrder 8 (Max order in the potential energy expansion) Natoms 4 (Number of atoms) Nmodes 6 (Number of modes = 3*Natoms-6) (ACTIVE SPACE CUTOFFS:) PRIMITIVES Npolyads 16 (how many polyads we calculate) enercut 80000. (energy cut in the primitive matrix for the diagonalization) END CONTRACTION Npolyads 16 (how many polyads we calculate) enercut 80000. (energy cut in the primitive matrix for the diagonalization) degeneracy 0.01 coeff_thresh 1e-18 cluster 4.0 END SYMGROUP C2v(M) DIAGONALIZER SYEV end dstep 0.005 (finite difference element for each mode ) COORDS linear TRANSFORM R-THETA-TAU MOLTYPE zxy2 REFER-CONF NON-RIGID (Reference configuarion: RIGID or NON-RIGID) MOLECULE h2co (Identifying the Molecule, e.g. PH3, BiH3 - optional) verbose 4 ZMAT C 0 0 0 0 12.00000000 O 1 0 0 0 15.99491463 H 1 2 0 0 1.00782505 H 1 2 3 -2 1.00782505 end CHECK_POINT ascii kinetic save potential save external save basis_set save CONTRACT save matelem save split extmatelem save split EIGENFUNC save END sparse (type chi_kin chi_pot) BASIS 0,'JKtau', Jrot 0 1,'numerov','linear', 'morse', range 0,16, resc 1.0, points 1000, borders -0.35,1.80 2,'numerov','linear', 'morse', range 0, 8, resc 2.0, points 1000, borders -0.5,1.0 2,'numerov','linear', 'morse', range 0, 8, resc 2.0, points 1000, borders -0.5,1.0 3,'numerov','linear', 'linear', range 0,14, resc 1.0, points 1000, borders -1.2,1.2 3,'numerov','linear', 'linear', range 0,14, resc 1.0, points 1000, borders -1.2,1.2 4,'numerov','linear', 'linear', range 0,16, resc 1.0, points 2000, borders -120., 120.0 deg END EQUILIBRIUM rCO 0 1.203374200 rCH 0 1.103774652 rCH 0 1.103774652 thetaOCH 0 2.12658330381800 thetaOCH 0 2.12658330381800 tau 0 180.00 deg end SPECPARAM aCO 0 1.0 aCH 0 1.0 aCH 0 1.0 END MEP NPARAM 15 MEP_TYPE MEP_zxy2_R_rho COEFF powers (powers or list) f0CO 0 0 0 0 0 0 1.203374200 (1.20754430) f1CO 1 0 0 0 0 0 1.62744135E-02 f2CO 2 0 0 0 0 0 5.92119950E-03 f3CO 3 0 0 0 0 0 -4.12485709E-03 f4CO 4 0 0 0 0 0 4.94739899E-03 f0CH 0 0 0 0 0 0 1.103774652 (1.10221709) f1CH 0 1 0 0 0 0 2.08797432E-02 f2CH 0 2 0 0 0 0 7.91060546E-03 f3CH 0 3 0 0 0 0 3.41265619E-03 f4CH 0 4 0 0 0 0 0.0 f0HCO 0 0 0 0 0 0 2.12658330381800 (2.125528285590270) f1HCO 0 0 0 1 0 0 -1.03629709E-01 f2HCO 0 0 0 2 0 0 -6.63007811E-03 f3HCO 0 0 0 3 0 0 0.0 f4HCO 0 0 0 4 0 0 0.0 end POTEN NPARAM 114 POT_TYPE poten_zxy2_mep_r_alpha_rho_powers (fitted using corrected energies) COEFF powers (powers or list) f_0_0 0 0 0 0 0 0 1 0.00000000000000E+00 f_0_1 1 0 0 0 0 0 1 0.00000000000000E+00 f_0_1 0 1 0 0 0 0 1 0.00000000000000E+00 f_0_2 0 0 0 1 0 0 1 0.00000000000000E+00 f_1_1 0 0 0 0 0 1 1 0.13239727881219E+05 f_2_1 0 0 0 0 0 2 1 0.46279621687684E+04 f_3_1 0 0 0 0 0 3 1 0.14394787420943E+04 f_4_1 0 0 0 0 0 4 1 0.10067584554678E+04 f_5_1 0 0 0 2 0 0 1 0.31402651686299E+05 f_6_1 0 0 0 1 1 0 1 0.21264254861695E+05 f_7_1 1 0 0 1 0 0 1 0.23171874958986E+05 f_8_1 2 0 0 0 0 0 1 0.32739160933446E+06 f_9_1 0 1 0 1 0 0 1 -0.24869391863027E+04 f_10_1 0 1 0 0 1 0 1 -0.80612677045351E+04 f_11_1 1 1 0 0 0 0 1 0.27249592647714E+05 f_12_1 0 2 0 0 0 0 1 0.12230532340756E+06 f_13_1 0 1 1 0 0 0 1 0.34843918413147E+04 f_14_1 0 0 0 3 0 0 1 -0.14629982227857E+04 f_15_1 0 0 0 2 1 0 1 0.15666762363659E+05 f_16_1 1 0 0 2 0 0 1 -0.32313211493261E+05 f_17_1 1 0 0 1 1 0 1 -0.32183594673768E+03 f_18_1 2 0 0 1 0 0 1 -0.12388425397677E+05 f_19_1 3 0 0 0 0 0 1 -0.40618758122078E+06 f_20_1 0 1 0 2 0 0 1 -0.81895953749021E+04 f_21_1 0 1 0 1 1 0 1 -0.81608291615124E+04 f_22_1 0 1 0 0 2 0 1 -0.78171328859797E+04 f_23_1 1 1 0 1 0 0 1 -0.23404884200696E+05 f_24_1 1 1 0 0 1 0 1 0.84236362461100E+04 f_25_1 2 1 0 0 0 0 1 -0.42106519509140E+05 f_26_1 0 2 0 1 0 0 1 -0.28309896175003E+04 f_27_2 0 0 2 1 0 0 1 -0.76539488102431E+04 f_28_2 1 0 2 0 0 0 1 0.28805160620638E+05 f_29_1 0 3 0 0 0 0 1 -0.11910819035533E+06 f_30_1 0 1 1 1 0 0 1 0.21522044638253E+05 f_31_1 1 1 1 0 0 0 1 -0.16597096824778E+05 f_32_1 0 2 1 0 0 0 1 0.12945037954515E+04 f_33_1 0 0 0 4 0 0 1 0.46342645536552E+03 f_34_1 0 0 0 3 1 0 1 0.32841992961308E+04 f_35_1 0 0 0 2 2 0 1 0.10811679136281E+05 f_36_1 1 0 0 3 0 0 1 0.11277614737436E+05 f_37_1 1 0 0 2 1 0 1 -0.11286559920155E+05 f_38_1 2 0 0 2 0 0 1 0.41942404485362E+04 f_39_1 2 0 0 1 1 0 1 0.86753444423221E+04 f_40_1 3 0 0 1 0 0 1 0.26577433755284E+04 f_41_1 4 0 0 0 0 0 1 0.22705008595433E+06 f_42_1 0 1 0 3 0 0 1 0.26816916169514E+04 f_43_1 0 1 0 2 1 0 1 0.76020310473234E+03 f_44_1 0 1 0 1 2 0 1 0.42092973123376E+02 f_45_1 0 1 0 0 3 0 1 0.37550389320777E+04 f_46_1 1 1 0 2 0 0 1 0.15715858509489E+05 f_47_1 1 1 0 0 2 0 1 0.18321618723484E+05 f_48_1 2 1 0 1 0 0 1 0.36577549681528E+05 f_49_1 3 1 0 0 0 0 1 0.58653670403064E+04 f_50_1 0 2 0 2 0 0 1 -0.14322757310310E+05 f_51_1 0 2 0 1 1 0 1 -0.18278625376017E+05 f_52_1 0 2 0 0 2 0 1 -0.18383732874924E+05 f_53_1 1 2 0 1 0 0 1 -0.18484827303450E+05 f_54_1 2 2 0 0 0 0 1 0.95391837365577E+03 f_55_1 0 3 0 1 0 0 1 -0.48300621575568E+04 f_56_1 0 3 0 0 1 0 1 0.13775873923083E+04 f_57_1 1 3 0 0 0 0 1 -0.90670427878501E+04 f_58_1 0 4 0 0 0 0 1 0.71571608948818E+05 f_59_1 0 1 1 2 0 0 1 0.23446867231360E+05 f_60_1 0 1 1 1 1 0 1 0.43947497461708E+05 f_61_1 1 1 1 1 0 0 1 0.85126334351693E+03 f_62_1 2 1 1 0 0 0 1 0.25109813078963E+05 f_63_1 0 2 1 1 0 0 1 0.45345368707357E+04 f_64_1 0 2 1 0 1 0 1 0.13047248691325E+04 f_65_1 1 2 1 0 0 0 1 -0.20633664447846E+04 f_66_1 0 3 1 0 0 0 1 -0.43375526055122E+04 f_67_1 0 5 0 0 0 0 1 -0.98720422115744E+05 f_68_1 5 0 0 0 0 0 1 -0.16041626944720E+06 f_69_1 0 0 0 5 0 0 1 -0.75218582517508E+03 f_70_1 0 0 0 3 2 0 1 0.98338432734701E+04 f_71_1 0 0 0 4 1 0 1 0.29603878581000E+04 f_72_1 0 0 0 5 1 0 1 -0.71468015789444E+04 f_73_1 0 0 0 2 0 1 1 -0.71316217171770E+04 f_74_1 0 0 0 1 1 1 1 -0.59519342462908E+04 f_75_1 1 0 0 1 0 1 1 0.70364658109243E+04 f_76_1 2 0 0 0 0 1 1 -0.44193137560608E+05 f_77_1 0 1 0 1 0 1 1 0.28644484978918E+04 f_78_1 0 1 0 0 1 1 1 0.10966327701743E+04 f_79_1 1 1 0 0 0 1 1 0.29574368228369E+04 f_80_1 0 2 0 0 0 1 1 -0.19645478294506E+05 f_81_1 0 1 1 0 0 1 1 0.11160917769958E+05 f_82_1 0 0 0 3 0 1 1 -0.98253584344137E+04 f_83_1 0 0 0 2 1 1 1 0.69469317588939E+04 f_84_1 2 0 0 1 0 1 1 0.36045075265153E+04 f_85_1 3 0 0 0 0 1 1 0.37566066827493E+05 f_86_1 0 1 0 2 0 1 1 0.36666246303725E+04 f_87_1 0 1 0 1 1 1 1 0.18093815001988E+04 f_88_1 0 3 0 0 0 1 1 0.77075449133134E+04 f_89_1 0 0 0 4 0 1 1 -0.67506105770715E+04 f_90_1 0 0 0 3 1 1 1 0.18441379389086E+04 f_91_1 1 0 0 2 1 1 1 0.10651453110217E+05 f_92_1 0 1 0 3 0 1 1 0.59481479924520E+04 f_93_1 0 1 0 0 3 1 1 -0.27285284813413E+05 f_94_1 5 0 0 0 0 1 1 0.15676729517406E+06 f_95_1 0 0 0 6 0 1 1 -0.14875832992377E+05 f_96_1 0 0 0 2 0 2 1 -0.26275210277646E+04 f_97_1 0 0 0 1 1 2 1 0.86036478230377E+04 f_98_1 1 0 0 1 0 2 1 -0.47572047859996E+04 f_99_1 2 0 0 0 0 2 1 -0.77916377959823E+04 f_100_1 0 1 0 1 0 2 1 0.27278160262229E+04 f_101_1 0 2 0 0 0 2 1 -0.83754221005085E+04 f_102_1 0 1 1 0 0 2 1 0.76173102710712E+03 f_103_1 0 1 0 1 1 2 1 0.22988626871351E+04 f_104_1 0 1 0 0 2 2 1 0.11737935785495E+05 f_105_1 0 0 0 2 2 2 1 0.37075900478901E+05 f_106_1 2 0 0 1 1 2 1 -0.56926662419782E+05 f_107_1 4 0 0 0 0 2 1 0.13495391446179E+06 f_108_1 0 1 0 0 3 2 1 0.50799838377031E+05 f_109_1 0 2 0 1 1 2 1 0.27093455455981E+05 f_110_1 0 0 0 5 0 2 1 -0.20926107861378E+05 end DIPOLE rank 3 nparam 158 72 113 ( Nparams/rms: 89/0.0002D 41/0.0002D 55/0.0002D ) DMS_TYPE ZXY2_SYMADAP coeff powers coords linear order 6 6 6 dstep 0.005 parameters re_CO 0 0 0 0 0 0 1.0 1.207585 re_CH 0 0 0 0 0 0 1.0 1.102232 ae_HCO 0 0 0 0 0 0 1.0 121.6861 mu_A1_1_1 0 0 0 0 0 0 1.0 -2.395766 ( 0.000005 ) mu_A1_2_1 0 1 0 0 0 0 1.0 0.689760 ( 0.000068 ) mu_A1_2_2 0 0 1 0 0 0 1.0 0.689760 ( 0.000068 ) mu_A1_3_1 0 2 0 0 0 0 1.0 1.149109 ( 0.001123 ) mu_A1_3_2 0 0 2 0 0 0 1.0 1.149109 ( 0.001123 ) mu_A1_4_1 0 1 1 0 0 0 1.0 -1.185159 ( 0.001868 ) mu_A1_5_1 0 3 0 0 0 0 1.0 0.057651 ( 0.006772 ) mu_A1_5_2 0 0 3 0 0 0 1.0 0.057651 ( 0.006772 ) mu_A1_6_1 0 2 1 0 0 0 1.0 -0.313571 ( 0.005289 ) mu_A1_6_2 0 1 2 0 0 0 1.0 -0.313571 ( 0.005289 ) mu_A1_7_1 0 4 0 0 0 0 1.0 -0.649601 ( 0.042161 ) mu_A1_7_2 0 0 4 0 0 0 1.0 -0.649601 ( 0.042161 ) mu_A1_8_1 0 3 1 0 0 0 1.0 1.211383 ( 0.042977 ) mu_A1_8_2 0 1 3 0 0 0 1.0 1.211383 ( 0.042977 ) mu_A1_9_1 0 2 2 0 0 0 1.0 -1.121934 ( 0.059890 ) mu_A1_10_1 0 5 0 0 0 0 1.0 -0.597183 ( 0.182050 ) mu_A1_10_2 0 0 5 0 0 0 1.0 -0.597183 ( 0.182050 ) mu_A1_11_1 1 0 0 0 0 0 1.0 -3.910783 ( 0.000106 ) mu_A1_12_1 2 0 0 0 0 0 1.0 5.436540 ( 0.001320 ) mu_A1_13_1 3 0 0 0 0 0 1.0 -1.591520 ( 0.009216 ) mu_A1_14_1 4 0 0 0 0 0 1.0 -2.301328 ( 0.044453 ) mu_A1_15_1 5 0 0 0 0 0 1.0 3.503464 ( 0.212970 ) mu_A1_16_1 0 0 0 1 0 0 1.0 -0.147992 ( 0.000034 ) mu_A1_16_2 0 0 0 0 1 0 1.0 -0.147992 ( 0.000034 ) mu_A1_17_1 0 0 0 2 0 0 1.0 0.231049 ( 0.000218 ) mu_A1_17_2 0 0 0 0 2 0 1.0 0.231049 ( 0.000218 ) mu_A1_18_1 0 0 0 1 1 0 1.0 0.379284 ( 0.000365 ) mu_A1_19_1 0 0 0 3 0 0 1.0 -0.303671 ( 0.000602 ) mu_A1_19_2 0 0 0 0 3 0 1.0 -0.303671 ( 0.000602 ) mu_A1_20_1 0 0 0 2 1 0 1.0 -0.350899 ( 0.000525 ) mu_A1_20_2 0 0 0 1 2 0 1.0 -0.350899 ( 0.000525 ) mu_A1_21_1 0 0 0 4 0 0 1.0 0.158406 ( 0.001809 ) mu_A1_21_2 0 0 0 0 4 0 1.0 0.158406 ( 0.001809 ) mu_A1_22_1 0 0 0 3 1 0 1.0 -0.180723 ( 0.001749 ) mu_A1_22_2 0 0 0 1 3 0 1.0 -0.180723 ( 0.001749 ) mu_A1_23_1 0 0 0 2 2 0 1.0 -0.570486 ( 0.002140 ) mu_A1_24_1 0 0 0 5 0 0 1.0 -0.387460 ( 0.003499 ) mu_A1_24_2 0 0 0 0 5 0 1.0 -0.387460 ( 0.003499 ) mu_A1_25_1 0 0 0 0 0 1 1.0 0.520451 ( 0.000162 ) mu_A1_26_1 0 0 0 0 0 2 1.0 -0.098336 ( 0.000960 ) mu_A1_27_1 0 0 0 0 0 3 1.0 -0.012345 ( 0.001326 ) mu_A1_28_1 1 1 0 0 0 0 1.0 -2.499592 ( 0.001335 ) mu_A1_28_2 1 0 1 0 0 0 1.0 -2.499592 ( 0.001335 ) mu_A1_29_1 1 2 0 0 0 0 1.0 -1.223974 ( 0.006959 ) mu_A1_29_2 1 0 2 0 0 0 1.0 -1.223974 ( 0.006959 ) mu_A1_30_1 1 1 1 0 0 0 1.0 3.466368 ( 0.018024 ) mu_A1_31_1 1 3 0 0 0 0 1.0 1.186526 ( 0.061264 ) mu_A1_31_2 1 0 3 0 0 0 1.0 1.186526 ( 0.061264 ) mu_A1_32_1 2 1 0 0 0 0 1.0 1.097381 ( 0.006697 ) mu_A1_32_2 2 0 1 0 0 0 1.0 1.097381 ( 0.006697 ) mu_A1_33_1 2 2 0 0 0 0 1.0 -0.807520 ( 0.047715 ) mu_A1_33_2 2 0 2 0 0 0 1.0 -0.807520 ( 0.047715 ) mu_A1_34_1 2 1 1 0 0 0 1.0 -6.842715 ( 0.141361 ) mu_A1_35_1 3 1 0 0 0 0 1.0 3.021277 ( 0.066433 ) mu_A1_35_2 3 0 1 0 0 0 1.0 3.021277 ( 0.066433 ) mu_A1_36_1 0 1 0 1 0 0 1.0 -0.174097 ( 0.000583 ) mu_A1_36_2 0 0 1 0 1 0 1.0 -0.174097 ( 0.000583 ) mu_A1_37_1 0 1 0 0 1 0 1.0 0.187496 ( 0.000921 ) mu_A1_37_2 0 0 1 1 0 0 1.0 0.187496 ( 0.000921 ) mu_A1_38_1 0 2 0 1 0 0 1.0 1.444697 ( 0.002805 ) mu_A1_38_2 0 0 2 0 1 0 1.0 1.444697 ( 0.002805 ) mu_A1_39_1 0 2 0 0 1 0 1.0 0.258993 ( 0.006627 ) mu_A1_39_2 0 0 2 1 0 0 1.0 0.258993 ( 0.006627 ) mu_A1_40_1 0 1 1 1 0 0 1.0 -1.732035 ( 0.007542 ) mu_A1_40_2 0 1 1 0 1 0 1.0 -1.732035 ( 0.007542 ) mu_A1_41_1 0 3 0 1 0 0 1.0 0.206327 ( 0.024184 ) mu_A1_41_2 0 0 3 0 1 0 1.0 0.206327 ( 0.024184 ) mu_A1_42_1 0 1 0 2 0 0 1.0 -0.195906 ( 0.001453 ) mu_A1_42_2 0 0 1 0 2 0 1.0 -0.195906 ( 0.001453 ) mu_A1_43_1 0 1 0 0 2 0 1.0 0.228985 ( 0.003570 ) mu_A1_43_2 0 0 1 2 0 0 1.0 0.228985 ( 0.003570 ) mu_A1_44_1 0 2 0 0 2 0 1.0 1.343694 ( 0.023086 ) mu_A1_44_2 0 0 2 2 0 0 1.0 1.343694 ( 0.023086 ) mu_A1_45_1 0 1 1 2 0 0 1.0 -1.173388 ( 0.024816 ) mu_A1_45_2 0 1 1 0 2 0 1.0 -1.173388 ( 0.024816 ) mu_A1_46_1 0 1 0 1 1 0 1.0 0.215403 ( 0.002953 ) mu_A1_46_2 0 0 1 1 1 0 1.0 0.215403 ( 0.002953 ) mu_A1_47_1 0 2 0 1 1 0 1.0 0.865310 ( 0.023192 ) mu_A1_47_2 0 0 2 1 1 0 1.0 0.865310 ( 0.023192 ) mu_A1_48_1 0 1 0 3 0 0 1.0 0.037914 ( 0.005599 ) mu_A1_48_2 0 0 1 0 3 0 1.0 0.037914 ( 0.005599 ) mu_A1_49_1 0 1 0 0 3 0 1.0 -0.292768 ( 0.011861 ) mu_A1_49_2 0 0 1 3 0 0 1.0 -0.292768 ( 0.011861 ) mu_A1_50_1 0 1 0 0 0 1 1.0 0.005840 ( 0.000316 ) mu_A1_50_2 0 0 1 0 0 1 1.0 0.005840 ( 0.000316 ) mu_A1_51_1 0 2 0 0 0 1 1.0 0.118822 ( 0.007067 ) mu_A1_51_2 0 0 2 0 0 1 1.0 0.118822 ( 0.007067 ) mu_A1_52_1 0 1 1 0 0 1 1.0 -0.899843 ( 0.005524 ) mu_A1_53_1 0 3 0 0 0 1 1.0 -0.090448 ( 0.020513 ) mu_A1_53_2 0 0 3 0 0 1 1.0 -0.090448 ( 0.020513 ) mu_A1_54_1 0 2 0 0 0 2 1.0 0.260035 ( 0.013998 ) mu_A1_54_2 0 0 2 0 0 2 1.0 0.260035 ( 0.013998 ) mu_A1_55_1 1 0 0 1 0 0 1.0 -0.203224 ( 0.000693 ) mu_A1_55_2 1 0 0 0 1 0 1.0 -0.203224 ( 0.000693 ) mu_A1_56_1 1 0 0 2 0 0 1.0 0.021468 ( 0.002453 ) mu_A1_56_2 1 0 0 0 2 0 1.0 0.021468 ( 0.002453 ) mu_A1_57_1 1 0 0 1 1 0 1.0 -0.264356 ( 0.003887 ) mu_A1_58_1 1 0 0 3 0 0 1.0 0.573068 ( 0.007231 ) mu_A1_58_2 1 0 0 0 3 0 1.0 0.573068 ( 0.007231 ) mu_A1_59_1 1 0 0 2 1 0 1.0 -0.641204 ( 0.006702 ) mu_A1_59_2 1 0 0 1 2 0 1.0 -0.641204 ( 0.006702 ) mu_A1_60_1 1 0 0 4 0 0 1.0 -1.039699 ( 0.019097 ) mu_A1_60_2 1 0 0 0 4 0 1.0 -1.039699 ( 0.019097 ) mu_A1_61_1 2 0 0 1 0 0 1.0 0.813711 ( 0.003022 ) mu_A1_61_2 2 0 0 0 1 0 1.0 0.813711 ( 0.003022 ) mu_A1_62_1 2 0 0 2 0 0 1.0 0.943703 ( 0.008746 ) mu_A1_62_2 2 0 0 0 2 0 1.0 0.943703 ( 0.008746 ) mu_A1_63_1 3 0 0 1 0 0 1.0 1.900650 ( 0.026903 ) mu_A1_63_2 3 0 0 0 1 0 1.0 1.900650 ( 0.026903 ) mu_A1_64_1 1 0 0 0 0 1 1.0 0.827514 ( 0.001190 ) mu_A1_65_1 2 0 0 0 0 1 1.0 0.472829 ( 0.003241 ) mu_A1_66_1 3 0 0 0 0 1 1.0 -1.252941 ( 0.026846 ) mu_A1_67_1 1 0 0 0 0 2 1.0 -0.191567 ( 0.002316 ) mu_A1_68_1 0 0 0 1 0 1 1.0 -0.556481 ( 0.000976 ) mu_A1_68_2 0 0 0 0 1 1 1.0 -0.556481 ( 0.000976 ) mu_A1_69_1 0 0 0 2 0 1 1.0 -0.289938 ( 0.001474 ) mu_A1_69_2 0 0 0 0 2 1 1.0 -0.289938 ( 0.001474 ) mu_A1_70_1 0 0 0 1 1 1 1.0 0.605580 ( 0.003659 ) mu_A1_71_1 0 0 0 3 0 1 1.0 0.007874 ( 0.001901 ) mu_A1_71_2 0 0 0 0 3 1 1.0 0.007874 ( 0.001901 ) mu_A1_72_1 0 0 0 2 1 1 1.0 0.148277 ( 0.002356 ) mu_A1_72_2 0 0 0 1 2 1 1.0 0.148277 ( 0.002356 ) mu_A1_73_1 0 0 0 1 0 2 1.0 0.165315 ( 0.005835 ) mu_A1_73_2 0 0 0 0 1 2 1.0 0.165315 ( 0.005835 ) mu_A1_74_1 0 0 0 2 0 2 1.0 -0.166312 ( 0.002935 ) mu_A1_74_2 0 0 0 0 2 2 1.0 -0.166312 ( 0.002935 ) mu_A1_75_1 0 0 0 1 1 2 1.0 -0.298247 ( 0.007272 ) mu_A1_76_1 0 0 0 1 0 3 1.0 -0.088178 ( 0.008124 ) mu_A1_76_2 0 0 0 0 1 3 1.0 -0.088178 ( 0.008124 ) mu_A1_77_1 1 1 0 1 0 0 1.0 -1.614885 ( 0.007310 ) mu_A1_77_2 1 0 1 0 1 0 1.0 -1.614885 ( 0.007310 ) mu_A1_78_1 1 1 0 0 1 0 1.0 0.943416 ( 0.018036 ) mu_A1_78_2 1 0 1 1 0 0 1.0 0.943416 ( 0.018036 ) mu_A1_79_1 1 2 0 1 0 0 1.0 -2.472108 ( 0.049855 ) mu_A1_79_2 1 0 2 0 1 0 1.0 -2.472108 ( 0.049855 ) mu_A1_80_1 2 1 0 1 0 0 1.0 1.725047 ( 0.048291 ) mu_A1_80_2 2 0 1 0 1 0 1.0 1.725047 ( 0.048291 ) mu_A1_81_1 1 1 0 2 0 0 1.0 1.557923 ( 0.021161 ) mu_A1_81_2 1 0 1 0 2 0 1.0 1.557923 ( 0.021161 ) mu_A1_82_1 1 1 0 0 2 0 1.0 -2.003715 ( 0.061555 ) mu_A1_82_2 1 0 1 2 0 0 1.0 -2.003715 ( 0.061555 ) mu_A1_83_1 0 1 0 1 0 1 1.0 0.074677 ( 0.002426 ) mu_A1_83_2 0 0 1 0 1 1 1.0 0.074677 ( 0.002426 ) mu_A1_84_1 0 1 0 0 1 1 1.0 -0.025780 ( 0.003449 ) mu_A1_84_2 0 0 1 1 0 1 1.0 -0.025780 ( 0.003449 ) mu_A1_85_1 0 2 0 1 0 1 1.0 0.994544 ( 0.017961 ) mu_A1_85_2 0 0 2 0 1 1 1.0 0.994544 ( 0.017961 ) mu_A1_86_1 0 1 0 2 0 1 1.0 -0.376383 ( 0.007343 ) mu_A1_86_2 0 0 1 0 2 1 1.0 -0.376383 ( 0.007343 ) mu_A1_87_1 1 0 0 1 0 1 1.0 -0.796835 ( 0.006900 ) mu_A1_87_2 1 0 0 0 1 1 1.0 -0.796835 ( 0.006900 ) mu_A1_88_1 2 0 0 1 0 1 1.0 0.501343 ( 0.017569 ) mu_A1_88_2 2 0 0 0 1 1 1.0 0.501343 ( 0.017569 ) mu_A1_89_1 1 0 0 1 0 2 1.0 0.550592 ( 0.014058 ) mu_A1_89_2 1 0 0 0 1 2 1.0 0.550592 ( 0.014058 ) re_CO 0 0 0 0 0 0 1.0 1.207585 re_CH 0 0 0 0 0 0 1.0 1.102232 ae_HCO 0 0 0 0 0 0 1.0 121.6861 mu_B1_1_1 0 0 0 0 0 0 1.0 0.428695 ( 0.000038 ) mu_B1_2_1 0 1 0 0 0 0 1.0 0.064367 ( 0.000240 ) mu_B1_2_2 0 0 1 0 0 0 1.0 0.064367 ( 0.000240 ) mu_B1_3_1 0 2 0 0 0 0 1.0 -0.576039 ( 0.002703 ) mu_B1_3_2 0 0 2 0 0 0 1.0 -0.576039 ( 0.002703 ) mu_B1_4_1 0 1 1 0 0 0 1.0 0.606244 ( 0.005623 ) mu_B1_5_1 0 3 0 0 0 0 1.0 -0.220777 ( 0.010657 ) mu_B1_5_2 0 0 3 0 0 0 1.0 -0.220777 ( 0.010657 ) mu_B1_6_1 0 2 1 0 0 0 1.0 0.085658 ( 0.014367 ) mu_B1_6_2 0 1 2 0 0 0 1.0 0.085658 ( 0.014367 ) mu_B1_7_1 0 4 0 0 0 0 1.0 0.960646 ( 0.085297 ) mu_B1_7_2 0 0 4 0 0 0 1.0 0.960646 ( 0.085297 ) mu_B1_8_1 1 0 0 0 0 0 1.0 1.042615 ( 0.000434 ) mu_B1_9_1 2 0 0 0 0 0 1.0 -1.357217 ( 0.002639 ) mu_B1_10_1 3 0 0 0 0 0 1.0 1.147624 ( 0.011224 ) mu_B1_11_1 0 0 0 1 0 0 1.0 -0.274056 ( 0.000097 ) mu_B1_11_2 0 0 0 0 1 0 1.0 -0.274056 ( 0.000097 ) mu_B1_12_1 0 0 0 2 0 0 1.0 -0.066340 ( 0.000500 ) mu_B1_12_2 0 0 0 0 2 0 1.0 -0.066340 ( 0.000500 ) mu_B1_13_1 0 0 0 1 1 0 1.0 0.291647 ( 0.000579 ) mu_B1_14_1 0 0 0 3 0 0 1.0 0.054282 ( 0.001046 ) mu_B1_14_2 0 0 0 0 3 0 1.0 0.054282 ( 0.001046 ) mu_B1_15_1 0 0 0 2 1 0 1.0 0.178606 ( 0.001031 ) mu_B1_15_2 0 0 0 1 2 0 1.0 0.178606 ( 0.001031 ) mu_B1_16_1 0 0 0 4 0 0 1.0 0.054299 ( 0.003664 ) mu_B1_16_2 0 0 0 0 4 0 1.0 0.054299 ( 0.003664 ) mu_B1_17_1 0 0 0 0 0 1 1.0 0.006993 ( 0.001054 ) mu_B1_18_1 0 0 0 0 0 2 1.0 0.064285 ( 0.005585 ) mu_B1_19_1 0 0 0 0 0 3 1.0 0.022552 ( 0.007247 ) mu_B1_20_1 1 1 0 0 0 0 1.0 1.038523 ( 0.002523 ) mu_B1_20_2 1 0 1 0 0 0 1.0 1.038523 ( 0.002523 ) mu_B1_21_1 1 2 0 0 0 0 1.0 1.412308 ( 0.020164 ) mu_B1_21_2 1 0 2 0 0 0 1.0 1.412308 ( 0.020164 ) mu_B1_22_1 2 1 0 0 0 0 1.0 -1.527133 ( 0.019861 ) mu_B1_22_2 2 0 1 0 0 0 1.0 -1.527133 ( 0.019861 ) mu_B1_23_1 0 1 0 1 0 0 1.0 0.171633 ( 0.001700 ) mu_B1_23_2 0 0 1 0 1 0 1.0 0.171633 ( 0.001700 ) mu_B1_24_1 0 1 0 0 1 0 1.0 -0.607900 ( 0.002166 ) mu_B1_24_2 0 0 1 1 0 0 1.0 -0.607900 ( 0.002166 ) mu_B1_25_1 0 2 0 1 0 0 1.0 0.208892 ( 0.008146 ) mu_B1_25_2 0 0 2 0 1 0 1.0 0.208892 ( 0.008146 ) mu_B1_26_1 0 2 0 0 1 0 1.0 -0.116818 ( 0.021039 ) mu_B1_26_2 0 0 2 1 0 0 1.0 -0.116818 ( 0.021039 ) mu_B1_27_1 0 1 0 2 0 0 1.0 0.523194 ( 0.003353 ) mu_B1_27_2 0 0 1 0 2 0 1.0 0.523194 ( 0.003353 ) mu_B1_28_1 0 1 0 0 2 0 1.0 -0.495271 ( 0.007800 ) mu_B1_28_2 0 0 1 2 0 0 1.0 -0.495271 ( 0.007800 ) mu_B1_29_1 0 1 0 0 0 1 1.0 -0.097994 ( 0.000555 ) mu_B1_29_2 0 0 1 0 0 1 1.0 -0.097994 ( 0.000555 ) mu_B1_30_1 0 2 0 0 0 1 1.0 -0.521122 ( 0.004999 ) mu_B1_30_2 0 0 2 0 0 1 1.0 -0.521122 ( 0.004999 ) mu_B1_31_1 0 1 1 0 0 1 1.0 1.009525 ( 0.013042 ) mu_B1_32_1 1 0 0 1 0 0 1.0 -0.129627 ( 0.001046 ) mu_B1_32_2 1 0 0 0 1 0 1.0 -0.129627 ( 0.001046 ) mu_B1_33_1 1 0 0 2 0 0 1.0 -0.231797 ( 0.003353 ) mu_B1_33_2 1 0 0 0 2 0 1.0 -0.231797 ( 0.003353 ) mu_B1_34_1 2 0 0 1 0 0 1.0 0.816574 ( 0.008027 ) mu_B1_34_2 2 0 0 0 1 0 1.0 0.816574 ( 0.008027 ) mu_B1_35_1 1 0 0 0 0 1 1.0 0.180517 ( 0.003204 ) mu_B1_36_1 2 0 0 0 0 1 1.0 -0.692313 ( 0.006497 ) mu_B1_37_1 1 0 0 0 0 2 1.0 0.229389 ( 0.005217 ) mu_B1_38_1 0 0 0 1 0 1 1.0 0.151626 ( 0.000220 ) mu_B1_38_2 0 0 0 0 1 1 1.0 0.151626 ( 0.000220 ) mu_B1_39_1 0 0 0 2 0 1 1.0 -0.052618 ( 0.000795 ) mu_B1_39_2 0 0 0 0 2 1 1.0 -0.052618 ( 0.000795 ) mu_B1_40_1 1 1 0 1 0 0 1.0 -1.661342 ( 0.017881 ) mu_B1_40_2 1 0 1 0 1 0 1.0 -1.661342 ( 0.017881 ) mu_B1_41_1 0 1 0 1 0 1 1.0 0.471860 ( 0.003815 ) mu_B1_41_2 0 0 1 0 1 1 1.0 0.471860 ( 0.003815 ) re_CO 0 0 0 0 0 0 1.0 1.207585 re_CH 0 0 0 0 0 0 1.0 1.102232 ae_HCO 0 0 0 0 0 0 1.0 121.6861 mu_B2_1_1 0 1 0 0 0 0 1.0 -0.841440 ( 0.000082 ) mu_B2_1_2 0 0 1 0 0 0 1.0 0.841440 ( 0.000082 ) mu_B2_2_1 0 2 0 0 0 0 1.0 -1.375887 ( 0.000800 ) mu_B2_2_2 0 0 2 0 0 0 1.0 1.375887 ( 0.000800 ) mu_B2_3_1 0 3 0 0 0 0 1.0 0.072080 ( 0.004216 ) mu_B2_3_2 0 0 3 0 0 0 1.0 -0.072080 ( 0.004216 ) mu_B2_4_1 0 2 1 0 0 0 1.0 -0.892712 ( 0.006531 ) mu_B2_4_2 0 1 2 0 0 0 1.0 0.892712 ( 0.006531 ) mu_B2_5_1 0 4 0 0 0 0 1.0 0.583256 ( 0.024388 ) mu_B2_5_2 0 0 4 0 0 0 1.0 -0.583256 ( 0.024388 ) mu_B2_6_1 0 0 0 1 0 0 1.0 0.086451 ( 0.000037 ) mu_B2_6_2 0 0 0 0 1 0 1.0 -0.086451 ( 0.000037 ) mu_B2_7_1 0 0 0 2 0 0 1.0 -0.121190 ( 0.000243 ) mu_B2_7_2 0 0 0 0 2 0 1.0 0.121190 ( 0.000243 ) mu_B2_8_1 0 0 0 3 0 0 1.0 -0.164309 ( 0.000655 ) mu_B2_8_2 0 0 0 0 3 0 1.0 0.164309 ( 0.000655 ) mu_B2_9_1 0 0 0 2 1 0 1.0 -0.092869 ( 0.000481 ) mu_B2_9_2 0 0 0 1 2 0 1.0 0.092869 ( 0.000481 ) mu_B2_10_1 0 0 0 4 0 0 1.0 -0.123498 ( 0.002042 ) mu_B2_10_2 0 0 0 0 4 0 1.0 0.123498 ( 0.002042 ) mu_B2_11_1 0 0 0 5 0 0 1.0 -0.047932 ( 0.003873 ) mu_B2_11_2 0 0 0 0 5 0 1.0 0.047932 ( 0.003873 ) mu_B2_12_1 1 1 0 0 0 0 1.0 3.656949 ( 0.001384 ) mu_B2_12_2 1 0 1 0 0 0 1.0 -3.656949 ( 0.001384 ) mu_B2_13_1 1 2 0 0 0 0 1.0 2.561324 ( 0.007186 ) mu_B2_13_2 1 0 2 0 0 0 1.0 -2.561324 ( 0.007186 ) mu_B2_14_1 1 3 0 0 0 0 1.0 -2.875269 ( 0.064937 ) mu_B2_14_2 1 0 3 0 0 0 1.0 2.875269 ( 0.064937 ) mu_B2_15_1 2 1 0 0 0 0 1.0 -5.851015 ( 0.007118 ) mu_B2_15_2 2 0 1 0 0 0 1.0 5.851015 ( 0.007118 ) mu_B2_16_1 2 2 0 0 0 0 1.0 -0.935022 ( 0.049262 ) mu_B2_16_2 2 0 2 0 0 0 1.0 0.935022 ( 0.049262 ) mu_B2_17_1 3 1 0 0 0 0 1.0 5.606019 ( 0.069816 ) mu_B2_17_2 3 0 1 0 0 0 1.0 -5.606019 ( 0.069816 ) mu_B2_18_1 0 1 0 1 0 0 1.0 -0.696268 ( 0.000585 ) mu_B2_18_2 0 0 1 0 1 0 1.0 0.696268 ( 0.000585 ) mu_B2_19_1 0 1 0 0 1 0 1.0 -1.343619 ( 0.000978 ) mu_B2_19_2 0 0 1 1 0 0 1.0 1.343619 ( 0.000978 ) mu_B2_20_1 0 2 0 1 0 0 1.0 0.515451 ( 0.002880 ) mu_B2_20_2 0 0 2 0 1 0 1.0 -0.515451 ( 0.002880 ) mu_B2_21_1 0 2 0 0 1 0 1.0 -0.347792 ( 0.007542 ) mu_B2_21_2 0 0 2 1 0 0 1.0 0.347792 ( 0.007542 ) mu_B2_22_1 0 1 1 1 0 0 1.0 -0.464792 ( 0.006275 ) mu_B2_22_2 0 1 1 0 1 0 1.0 0.464792 ( 0.006275 ) mu_B2_23_1 0 3 0 1 0 0 1.0 1.174493 ( 0.024271 ) mu_B2_23_2 0 0 3 0 1 0 1.0 -1.174493 ( 0.024271 ) mu_B2_24_1 0 3 0 0 1 0 1.0 0.772753 ( 0.057203 ) mu_B2_24_2 0 0 3 1 0 0 1.0 -0.772753 ( 0.057203 ) mu_B2_25_1 0 1 0 2 0 0 1.0 0.404799 ( 0.001431 ) mu_B2_25_2 0 0 1 0 2 0 1.0 -0.404799 ( 0.001431 ) mu_B2_26_1 0 1 0 0 2 0 1.0 -0.653092 ( 0.003431 ) mu_B2_26_2 0 0 1 2 0 0 1.0 0.653092 ( 0.003431 ) mu_B2_27_1 0 2 0 2 0 0 1.0 0.105959 ( 0.008183 ) mu_B2_27_2 0 0 2 0 2 0 1.0 -0.105959 ( 0.008183 ) mu_B2_28_1 0 2 0 0 2 0 1.0 -0.742627 ( 0.019484 ) mu_B2_28_2 0 0 2 2 0 0 1.0 0.742627 ( 0.019484 ) mu_B2_29_1 0 1 0 1 1 0 1.0 0.304779 ( 0.002495 ) mu_B2_29_2 0 0 1 1 1 0 1.0 -0.304779 ( 0.002495 ) mu_B2_30_1 0 1 0 3 0 0 1.0 -0.258751 ( 0.005594 ) mu_B2_30_2 0 0 1 0 3 0 1.0 0.258751 ( 0.005594 ) mu_B2_31_1 0 1 0 0 3 0 1.0 0.557459 ( 0.011931 ) mu_B2_31_2 0 0 1 3 0 0 1.0 -0.557459 ( 0.011931 ) mu_B2_32_1 0 1 0 0 0 1 1.0 -0.649726 ( 0.001133 ) mu_B2_32_2 0 0 1 0 0 1 1.0 0.649726 ( 0.001133 ) mu_B2_33_1 0 2 0 0 0 1 1.0 0.098541 ( 0.009605 ) mu_B2_33_2 0 0 2 0 0 1 1.0 -0.098541 ( 0.009605 ) mu_B2_34_1 0 3 0 0 0 1 1.0 0.551142 ( 0.022355 ) mu_B2_34_2 0 0 3 0 0 1 1.0 -0.551142 ( 0.022355 ) mu_B2_35_1 0 1 0 0 0 2 1.0 -0.003501 ( 0.002253 ) mu_B2_35_2 0 0 1 0 0 2 1.0 0.003501 ( 0.002253 ) mu_B2_36_1 0 2 0 0 0 2 1.0 -0.157765 ( 0.019636 ) mu_B2_36_2 0 0 2 0 0 2 1.0 0.157765 ( 0.019636 ) mu_B2_37_1 1 0 0 1 0 0 1.0 -0.992332 ( 0.000644 ) mu_B2_37_2 1 0 0 0 1 0 1.0 0.992332 ( 0.000644 ) mu_B2_38_1 1 0 0 2 0 0 1.0 -0.754413 ( 0.001494 ) mu_B2_38_2 1 0 0 0 2 0 1.0 0.754413 ( 0.001494 ) mu_B2_39_1 1 0 0 3 0 0 1.0 0.582137 ( 0.006132 ) mu_B2_39_2 1 0 0 0 3 0 1.0 -0.582137 ( 0.006132 ) mu_B2_40_1 1 0 0 2 1 0 1.0 0.742239 ( 0.009640 ) mu_B2_40_2 1 0 0 1 2 0 1.0 -0.742239 ( 0.009640 ) mu_B2_41_1 2 0 0 1 0 0 1.0 1.689821 ( 0.003076 ) mu_B2_41_2 2 0 0 0 1 0 1.0 -1.689821 ( 0.003076 ) mu_B2_42_1 2 0 0 2 0 0 1.0 0.735303 ( 0.009139 ) mu_B2_42_2 2 0 0 0 2 0 1.0 -0.735303 ( 0.009139 ) mu_B2_43_1 3 0 0 1 0 0 1.0 -2.902622 ( 0.027833 ) mu_B2_43_2 3 0 0 0 1 0 1.0 2.902622 ( 0.027833 ) mu_B2_44_1 0 0 0 1 0 1 1.0 0.183519 ( 0.000460 ) mu_B2_44_2 0 0 0 0 1 1 1.0 -0.183519 ( 0.000460 ) mu_B2_45_1 0 0 0 2 0 1 1.0 -0.186134 ( 0.001643 ) mu_B2_45_2 0 0 0 0 2 1 1.0 0.186134 ( 0.001643 ) mu_B2_46_1 0 0 0 3 0 1 1.0 -0.201742 ( 0.002037 ) mu_B2_46_2 0 0 0 0 3 1 1.0 0.201742 ( 0.002037 ) mu_B2_47_1 0 0 0 1 0 2 1.0 -0.076614 ( 0.000905 ) mu_B2_47_2 0 0 0 0 1 2 1.0 0.076614 ( 0.000905 ) mu_B2_48_1 0 0 0 2 0 2 1.0 -0.043963 ( 0.003281 ) mu_B2_48_2 0 0 0 0 2 2 1.0 0.043963 ( 0.003281 ) mu_B2_49_1 1 1 0 1 0 0 1.0 -1.798830 ( 0.006574 ) mu_B2_49_2 1 0 1 0 1 0 1.0 1.798830 ( 0.006574 ) mu_B2_50_1 1 1 0 0 1 0 1.0 0.258813 ( 0.012059 ) mu_B2_50_2 1 0 1 1 0 0 1.0 -0.258813 ( 0.012059 ) mu_B2_51_1 1 2 0 1 0 0 1.0 -4.045944 ( 0.048611 ) mu_B2_51_2 1 0 2 0 1 0 1.0 4.045944 ( 0.048611 ) mu_B2_52_1 2 1 0 1 0 0 1.0 4.979262 ( 0.047508 ) mu_B2_52_2 2 0 1 0 1 0 1.0 -4.979262 ( 0.047508 ) mu_B2_53_1 0 1 0 1 0 1 1.0 0.842184 ( 0.002149 ) mu_B2_53_2 0 0 1 0 1 1 1.0 -0.842184 ( 0.002149 ) mu_B2_54_1 0 1 0 0 1 1 1.0 0.211339 ( 0.003376 ) mu_B2_54_2 0 0 1 1 0 1 1.0 -0.211339 ( 0.003376 ) mu_B2_55_1 0 1 0 2 0 1 1.0 0.410153 ( 0.007112 ) mu_B2_55_2 0 0 1 0 2 1 1.0 -0.410153 ( 0.007112 ) end