! 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   -3.5336485178  -0.6603265647   0.0200761244
O   -1.3892408845   2.4123448621  -0.3631379923
N   -2.1577116278   0.3200010087   0.1658039126
C    2.1928234891  -0.7057162765   0.4268879640
C    1.0916485713  -1.7134053638   0.1148188987
C    3.4835144506  -1.3825795573   0.8727975833
C   -0.2029465049  -1.0966324053  -0.4038170097
C    4.5876783663  -0.4157535422   1.2926670207
C   -0.9066168578  -0.2428760460   0.6420005663
C    5.0402919129   0.5665714843   0.2145768954
C    5.5611480398  -0.1027405439  -1.0491107979
C   -2.2979361600   1.5841691305  -0.3443948806
C   -3.6597905560   1.7446066483  -0.8266463528
C   -4.3999655925   0.6324420505  -0.6957483088
H    1.8673787193  -0.0134189725   1.2104256319
H    2.3746442247  -0.0944021640  -0.4629616472
H    0.8774920221  -2.3116747470   1.0068898678
H    1.4602226842  -2.4165467519  -0.6374335686
H    3.8420907441  -2.0395896567   0.0739156647
H    3.2621853986  -2.0411726884   1.7186940177
H   -0.8755648401  -1.8984366507  -0.7213950476
H   -0.0006235558  -0.4889910601  -1.2904578695
H    5.4533986023  -0.9963870806   1.6267791300
H    4.2493019621   0.1501259225   2.1663771717
H   -0.2889946300   0.5998330827   0.9491171976
H   -1.1065676145  -0.8267199320   1.5428803367
H    4.2214524688   1.2441142266  -0.0433298317
H    5.8267034768   1.2001690272   0.6333987364
H    6.3893053655  -0.7792892292  -0.8275241747
H    4.7879796764  -0.6856903205  -1.5524106976
H    5.9238717689   0.6357031090  -1.7654274328
H   -4.0157036428   2.6706284273  -1.2515577241
H   -5.4324031773   0.4884413155  -0.9784340269
*