! 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
Cl   1.5116354336   0.7215885540   3.2836406792
Cl  -3.5014019765  -2.1609240425  -3.5473055550
Cl   3.5431635015  -3.6571154655   0.9323927857
S   -1.7077245921   2.9839054931   0.7543421101
N    1.9189954470   2.0022004895  -0.3215441315
N   -0.4094625995   0.7205115987   0.9467292709
N    1.6238887459   1.6015208376  -1.5607437356
N    3.6439241574   0.8412285964  -0.9409890111
C    0.9730271521   2.7455171992   0.4606490668
C   -3.0313986008   1.7646265395   0.9833654514
C   -0.2890574320   1.9563808214   0.7390223945
C   -3.1565783545   0.7933095204  -0.1542573396
C   -3.1160492066  -0.5750154021   0.0882708981
C   -3.3201105959   1.2333380648  -1.4632919774
C    0.5894924934  -0.2370365617   0.9302063743
C   -3.2285933777  -1.4912119450  -0.9459869204
C   -3.4290939498   0.3326882353  -2.5115806362
C    3.1150498925   1.5318792720   0.0362681861
C    1.4993642181  -0.4091286922   1.9739043302
C    0.6125493990  -1.1696532413  -0.1081638685
C   -3.3778567339  -1.0258522326  -2.2420133696
C    2.4069925454  -1.4556491279   1.9876670006
C    1.5203959553  -2.2108403162  -0.1223117797
C    2.4104542342  -2.3478300845   0.9311189014
C    2.6839483338   0.9087821772  -1.8831968623
H    0.7347193152   3.6765361355  -0.0536614831
H    1.4424353297   3.0188744610   1.4065514555
H   -3.9320241122   2.3736344746   1.0826702609
H   -2.8822181282   1.2494377300   1.9308541252
H   -2.9834685315  -0.9395069853   1.0984136608
H   -3.3524934673   2.2935577552  -1.6820388290
H   -3.1881994923  -2.5518160821  -0.7388744984
H   -3.5507961375   0.6904295501  -3.5247574019
H    3.5635461752   1.7388464445   0.9953978131
H   -0.1007015722  -1.0664346156  -0.9144662837
H    3.1017179084  -1.5622817814   2.8089435085
H    1.5241264515  -2.9115405807  -0.9455780914
H    2.7750832000   0.4374440638  -2.8489674922
*