! 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   -3.3653209190  -0.7074396588   0.5781443883
O   -2.0243657092   1.6241399507  -2.0544544336
N   -2.2254617342  -0.0071011955  -0.4602517245
C    2.1958155889   0.5100030911  -0.1352100525
C    1.3172877096  -0.0086273667   0.9995091875
C    3.6896790070   0.3107300059   0.1042577686
C   -0.1565984701   0.3569301139   0.8587353920
C    4.1190346396  -1.1515343451   0.1616107153
C   -0.8157418066  -0.3314419419  -0.3271866865
C    5.6297652089  -1.3500769664   0.2429207121
C    6.2575299285  -0.7951207317   1.5133605768
C   -2.7201193193   0.9774751573  -1.2736141030
C   -4.1498075397   1.0977067857  -1.0452153587
C   -4.6020441085   0.2672821119  -0.0925769498
H    1.9986775830   1.5784520173  -0.2696647158
H    1.9212788063   0.0302923249  -1.0803938715
H    1.6850293396   0.4011163905   1.9448033949
H    1.4085840624  -1.0955624138   1.0864158630
H    3.9705265029   0.8237303745   1.0295912818
H    4.2445452116   0.8086177125  -0.6978252065
H   -0.2651984315   1.4403088822   0.7544857157
H   -0.6838718078   0.0758301312   1.7745112633
H    3.7415672624  -1.6634286101  -0.7298760440
H    3.6500287155  -1.6488685430   1.0168314842
H   -0.7131849897  -1.4156857201  -0.2483501803
H   -0.3461127066  -0.0429190849  -1.2661243756
H    5.8490346018  -2.4190902013   0.1760895977
H    6.1031952792  -0.8897884473  -0.6301254642
H    5.7956957574  -1.2286369428   2.4030046664
H    7.3244197336  -1.0183318876   1.5564644071
H    6.1530511685   0.2881960583   1.5846597217
H   -4.7650777154   1.7957362446  -1.5912907292
H   -5.6153364754   0.1606182220   0.2653928121
*