! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -5.0255560007  -0.1474972361   1.3155344154
S   -2.0898285798  -1.6192149741  -0.1089732865
O   -1.9022112681  -2.0074473839  -1.4919820305
O   -2.9595520492  -2.3885430665   0.7484224988
O   -1.1156273733  -0.7650740307   2.5457929816
O    2.9346186312  -1.8857039979  -2.1007402063
O    5.5239657932  -0.0842696905   1.3046069861
N   -1.9107377138   1.0656295466  -0.5614773384
N   -0.7234174722   0.9733653682  -1.1426426457
N   -3.7614329262   1.9363861538   0.3081684543
N   -0.5507606585  -1.5859237687   0.5030265189
N    1.0694391593  -0.8077171734   1.9728949898
N    1.9933518825  -1.3927453204  -0.0777840900
N    3.2960743036  -0.4606135228   1.6542877736
C   -2.6218751772   0.0243253688  -0.0227969285
C   -0.1995947119   2.0970062037  -1.5506279595
C    1.1754893541   2.0221766330  -2.1328847338
C   -2.6319027565   2.2031619976  -0.3382823806
C    2.2682328071   2.2311398742  -1.0773947632
C   -0.8705276544   3.3445603153  -1.4134393288
C   -2.0850755925   3.4072569944  -0.8059963551
C   -3.7502543529   0.6218896283   0.5060000048
C    2.2864990193   3.6141936252  -0.4470056135
C   -0.2625208698  -1.0366411632   1.7277380410
C    2.1634695709  -0.8970443541   1.1357408737
C    3.0618543956  -1.4258075218  -0.8682888119
C    4.3559389327  -0.5115757985   0.8579789419
C    4.3055241006  -0.9916424672  -0.4456800581
C    1.6472260362  -2.3046560046  -2.5517823621
C    5.6110085921   0.4466888164   2.6253099316
H    1.3112454047   1.0461202402  -2.6007437905
H    1.2774518864   2.7740561835  -2.9180221684
H    3.2300541151   2.0360046130  -1.5552639771
H    2.1551879799   1.4781052248  -0.2944209131
H   -0.4008514364   4.2385063837  -1.7980000234
H   -2.6241943533   4.3339020597  -0.6740747237
H    1.3886761736   3.8145492479   0.1395190043
H    3.1368243886   3.7137084328   0.2281653829
H    2.3731685995   4.3970199954  -1.2025820468
H    1.2593706823  -0.4165231838   2.8862978495
H    5.1743415278  -1.0168972774  -1.0865337564
H    1.2651677282  -3.1383097635  -1.9626562267
H    1.7884541778  -2.6331547816  -3.5772479494
H    0.9296682205  -1.4834420857  -2.5417697044
H    4.9773178984   1.3243124467   2.7483864706
H    6.6498991002   0.7359326628   2.7554912782
H    5.3493483168  -0.2965172026   3.3774145459
H    0.2324995022  -1.6594442367  -0.1648257182
*