! 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   0.0643515073  -0.5532268254  -1.3364566572
Cl  -4.1292978355  -1.1696927106  -2.6630676807
Cl   2.9992160940  -4.9481205811  -0.3914072516
S   -0.3244798085   2.4567380287   1.8509695480
N    2.0048002075   2.8056826888   0.1432574732
N    0.3385513275  -0.0694500099   1.5974559887
N    2.3355099928   3.9265167892   0.7910546297
N    1.5207729046   4.4019967292  -1.2457498977
C    2.0360554591   1.5207157340   0.7840493994
C   -1.8798928978   1.5796382185   2.1855502884
C    0.7055002369   1.1213501320   1.3856589825
C   -2.4470613553   0.9007209141   0.9737681766
C   -2.7007529688   1.6127941115  -0.1941290390
C   -2.7340959970  -0.4587063253   1.0007190682
C    1.0321620310  -1.1696645798   1.1126254763
C   -3.2209676637   0.9855469290  -1.3144528403
C   -3.2614389717  -1.1024398517  -0.1081851878
C    1.5072340485   3.1072167415  -1.0575439713
C    0.9475152973  -1.5455398396  -0.2315762639
C    1.7458448413  -1.9988373810   1.9754408948
C   -3.4932630179  -0.3723910719  -1.2606679724
C    1.5490635186  -2.7011511110  -0.7024842554
C    2.3574673664  -3.1542861794   1.5231488974
C    2.2514964076  -3.4979772470   0.1849874135
C    2.0338875695   4.8490830544  -0.0835284487
H    2.7842721798   1.5485312155   1.5766648533
H    2.3680128417   0.7742899458   0.0642898141
H   -2.5455993065   2.3664615232   2.5463582232
H   -1.7323503711   0.8785198410   3.0052321108
H   -2.4814187818   2.6722494431  -0.2432203413
H   -2.5383563125  -1.0326113257   1.8968180170
H   -3.4089698761   1.5511605252  -2.2167268153
H   -3.4734336210  -2.1622726476  -0.0722249115
H    1.1643573414   2.3603753370  -1.7564172683
H    1.8134535681  -1.7333987482   3.0218056840
H    1.4681799802  -2.9701390443  -1.7465182816
H    2.9068766692  -3.7786977023   2.2136744779
H    2.1978676252   5.8947075941   0.1230437981
*