! 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   1.6065278112  -1.5769162752   2.1335938830
Cl  -8.2020911332   0.3410860196  -0.5506044364
Cl   6.0599215667  -2.3902409677  -0.7466569525
S   -1.5336831885   1.1515251068   0.4231543906
N    2.2799814867   1.9753906230   0.8359323821
N    0.6113345153  -0.1548284737  -0.3343062704
N    2.5001434328   2.5947943113  -0.3264333526
N    4.4397239225   1.9880209337   0.6290329224
C    0.9469249387   1.7174318144   1.2987679222
C   -2.2241166635  -0.2100694829  -0.5637099708
C    0.1753598740   0.7894982338   0.3854916978
C   -3.7150738746  -0.0720373401  -0.5587120574
C   -4.3507329838   0.7525240588  -1.4817501700
C   -4.4856718859  -0.7541647644   0.3767876041
C    1.9253794418  -0.6023047588  -0.3712557253
C   -5.7301752630   0.8871350508  -1.4848557597
C   -5.8668621080  -0.6333180084   0.3860743418
C    3.4402596205   1.6126415270   1.3850868789
C    2.4949392382  -1.3406745720   0.6680788624
C    2.6763286349  -0.4431160430  -1.5358119714
C   -6.4765203216   0.1884351616  -0.5485649536
C    3.7611510982  -1.8932268099   0.5645526915
C    3.9462801200  -0.9747442600  -1.6550068940
C    4.4788074565  -1.7010044431  -0.6019521319
C    3.8045915603   2.5754624309  -0.4030578785
H    0.4168487490   2.6652507976   1.4023562120
H    1.0003509132   1.2797206508   2.2968409035
H   -1.9075840290  -1.1544890369  -0.1233141733
H   -1.8204906658  -0.1493755648  -1.5731358577
H   -3.7667276308   1.2940475904  -2.2156482904
H   -4.0076739883  -1.3967784150   1.1054248505
H   -6.2124137809   1.5267005206  -2.2110425370
H   -6.4552384219  -1.1764807552   1.1126707206
H    3.5067695786   1.1038349407   2.3341488866
H    2.2485784028   0.1066647036  -2.3628066841
H    4.1755920964  -2.4594119915   1.3870049459
H    4.5075800607  -0.8274976308  -2.5671262966
H    4.3245747586   3.0085905055  -1.2428524273
*