! 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 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S   -1.2342313515   0.6761047670  -1.5906283942
O   -3.0707406155  -0.4642828737   1.4882181459
N   -2.0101066415  -0.3973757830  -0.5363934978
C    1.0445427342  -0.8741630984   0.6183333294
C    0.5869450537  -2.0188800984  -0.2819654176
C    2.3498989521  -0.2414676509   0.1565286292
C   -0.8219910579  -2.5360341970   0.0150009910
C    2.8201521909   0.8772803193   1.0781206809
C   -1.9390039336  -1.8352980964  -0.7474195617
C    4.0418598869   1.6382746445   0.5720765782
C    5.2996892172   0.7885937687   0.4599251210
C   -2.5068279078   0.1779612165   0.6035436988
C   -2.2526071307   1.6072262928   0.5558605900
C   -1.5837513540   1.9856418944  -0.5463929066
H    1.1589458587  -1.2536626577   1.6393963098
H    0.2816525545  -0.0931675748   0.6791832059
H    1.2974019684  -2.8421437361  -0.1699840379
H    0.6567543744  -1.7185422948  -1.3337211653
H    2.2119259255   0.1577684513  -0.8548113216
H    3.1188813725  -1.0163407026   0.0766438783
H   -1.0217762871  -2.4895381425   1.0887512784
H   -0.8953323340  -3.5909635485  -0.2594749985
H    3.0346608210   0.4649444530   2.0701938651
H    1.9974602855   1.5862206228   1.2175160748
H   -2.9059863613  -2.2548973752  -0.4699996364
H   -1.8266744397  -2.0082852531  -1.8185297054
H    3.8124942949   2.0808791463  -0.4022874488
H    4.2380371712   2.4772753896   1.2450325079
H    5.1882503522  -0.0167507883  -0.2674626684
H    6.1543821477   1.3895386752   0.1460068632
H    5.5550572901   0.3321207496   1.4186223888
H   -2.5704077204   2.2770739771   1.3402433996
H   -1.2737414776   2.9826320656  -0.8231918945
*