! 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  -1.5051133052  -0.4827287216   3.1529307881
Cl   3.6749575931   2.6909456102  -2.7447500790
Cl  -3.2336213778   3.7272381225   0.3087297586
S    1.5777404225  -3.1584098453   0.1484603846
N   -2.1360517097  -2.0474810058  -0.5121116929
N    0.2693648215  -0.9899414444   0.8232835267
N   -2.6719516634  -2.4710733137   0.6346023839
N   -4.0457309315  -1.0253234228  -0.3944020492
C   -0.8121004859  -2.4455192709  -0.8982255603
C    2.9054088716  -2.0971609249   0.8019306366
C    0.2439433577  -2.0244890697   0.1018893596
C    3.1460667310  -0.9009577162  -0.0689927053
C    3.5203909841  -1.0567661532  -1.4007783357
C    2.9620694786   0.3844106731   0.4265565990
C   -0.6029668284   0.0762406753   0.6732378504
C    3.6922888995   0.0412931053  -2.2273779320
C    3.1308400668   1.4961753964  -0.3861204169
C   -2.9589119093  -1.1805044301  -1.1065972302
C   -1.4580279795   0.4560891182   1.7077318824
C   -0.5562832903   0.8822532284  -0.4646636385
C    3.4868756096   1.3121419818  -1.7112027593
C   -2.2758175310   1.5678463119   1.5995444391
C   -1.3569553095   2.0033652854  -0.5865866883
C   -2.2178950855   2.3327643427   0.4471459605
C   -3.8082655822  -1.8275667773   0.6625541756
H   -0.5845795455  -2.0090623271  -1.8710288350
H   -0.7853245946  -3.5275347259  -1.0319959426
H    3.7761147589  -2.7545156415   0.8334477094
H    2.6710693893  -1.8121894016   1.8256618715
H    3.6687296268  -2.0484409152  -1.8101342872
H    2.6680898413   0.5279646343   1.4576389535
H    3.9776738525  -0.0955321881  -3.2613318565
H    2.9711292260   2.4889874294   0.0114138174
H   -2.7351846151  -0.7102494268  -2.0505840635
H    0.1297633547   0.6279192197  -1.2627240559
H   -2.9442560235   1.8310026407   2.4075717072
H   -1.3038211055   2.6104085105  -1.4795123486
H   -4.5045810404  -1.9475796298   1.4769029198
*