! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.2511140482   1.9723461301   1.6664488701
Cl   4.1724239050   1.6710589032   1.6583027453
Cl  -0.6108657618   4.4015565851  -3.1019612837
S   -0.9884361130  -2.3531661280  -1.0296310094
N   -1.7290645712  -3.4456195419   1.6245321113
N   -1.8457382960  -0.1511793405   0.4310442631
N   -0.5524304857  -3.3355329458   2.2420740212
N   -1.0678775610  -5.4886395641   1.9110819779
C   -2.4743109824  -2.2784884146   1.2399952355
C    0.2969320708  -1.3403505215  -1.8110217030
C   -1.7533095137  -1.3943304276   0.2426062032
C    1.2312942277  -0.6032748780  -0.8949460272
C    1.8008922762   0.5818603654  -1.3507539642
C    1.5860568522  -1.0726606253   0.3642541098
C   -1.5080860043   0.8632668641  -0.4431297347
C    2.7092612482   1.2848225877  -0.5770441334
C    2.4947339395  -0.3813059434   1.1501989475
C   -2.0234153717  -4.7328494851   1.4290056034
C   -0.8071556238   1.9726445130   0.0379805244
C   -1.9575545590   0.9002453029  -1.7627351512
C    3.0492762202   0.7933749466   0.6724363049
C   -0.5248015774   3.0588338805  -0.7694779551
C   -1.6918000305   1.9817367904  -2.5849909162
C   -0.9679782335   3.0502842916  -2.0821146664
C   -0.1937103160  -4.5842574429   2.3940580327
H   -2.7050158608  -1.6769454580   2.1177481987
H   -3.4194896088  -2.6114651295   0.8068722330
H   -0.1443410406  -0.6642398572  -2.5409802268
H    0.8517422673  -2.0907142353  -2.3821319672
H    1.5301687649   0.9725146686  -2.3242165736
H    1.1456089539  -1.9796818105   0.7589847612
H    3.1361464225   2.2082178602  -0.9441202260
H    2.7553540923  -0.7558444990   2.1308363715
H   -2.9289551911  -5.0609409323   0.9430126067
H   -2.5408919780   0.0738761842  -2.1493663465
H    0.0398514004   3.8943413405  -0.3798281148
H   -2.0499131663   1.9841484921  -3.6052454751
H    0.7337854421  -4.8549238329   2.8744268471
*