! 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  -0.8869674200   0.7188887945   1.9156672692
Cl   2.7571064436   3.1698686126   1.0956059558
Cl  -0.2366025175   4.3373381459  -1.9806210323
S    0.3565532478  -2.4559634694  -2.0371084362
N   -1.8630903744  -3.3877734250   1.2296093982
N   -1.2831441033  -1.1895976614  -0.2254960756
N   -3.1825917142  -3.5938461282   1.2192096115
N   -2.5327365265  -2.7306187357   3.1874942108
C   -1.0573506605  -3.5561001332   0.0534228819
C    1.9445625279  -2.3418986241  -1.1301262022
C   -0.7615026054  -2.2551233440  -0.6440821286
C    2.1830725286  -0.9749528620  -0.5737487284
C    2.3483997875   0.1174430007  -1.4244352588
C    2.2145752191  -0.7665335359   0.7976777002
C   -1.0503744773   0.0886423864  -0.7075234318
C    2.5384979513   1.3888315252  -0.9191582787
C    2.4100148642   0.5046115877   1.3230887577
C   -1.4987992199  -2.8552014081   2.3947989753
C   -0.8419362321   1.0998294295   0.2349350619
C   -1.0805251602   0.4472000945  -2.0535157625
C    2.5631230072   1.5701952271   0.4574391736
C   -0.5882507480   2.4054326086  -0.1444071434
C   -0.8508498784   1.7520039993  -2.4518539512
C   -0.5829342872   2.7149311891  -1.4933400788
C   -3.5310716089  -3.1958959870   2.4137318977
H   -1.5714283393  -4.2356456392  -0.6257165736
H   -0.1175793397  -4.0427525553   0.3222077099
H    2.6915622082  -2.6076921164  -1.8796501587
H    1.9805354255  -3.1070494718  -0.3546827264
H    2.3108417947  -0.0220696119  -2.4975195180
H    2.0819043067  -1.6005645394   1.4758722095
H    2.6527969757   2.2306976001  -1.5879563519
H    2.4228551150   0.6542610685   2.3933610734
H   -0.4787920890  -2.5907866638   2.6248739007
H   -1.3060432309  -0.2961706469  -2.8035018055
H   -0.3954999770   3.1632002932   0.6015091352
H   -0.8752854305   2.0069103988  -3.5020058683
H   -4.5554846119  -3.2501921848   2.7467699193
*