! 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  -0.7585059505   1.2076750074   3.1108699646
Cl   4.6668711605   1.5018611732  -2.9347416861
Cl  -2.7222131614   5.0365313227  -0.1054411689
S    0.4128844110  -2.7760087414   0.4766051200
N   -2.4450414901  -2.9513463637  -0.0865088898
N   -0.1834189605  -0.2325336498   0.6357944001
N   -2.2075594652  -3.9977527330  -0.8811845237
N   -3.3443739325  -4.6339139818   0.9397286838
C   -1.9373549746  -1.6409969800  -0.3947532152
C    1.9243621593  -1.9943961095   1.1129733459
C   -0.6000730870  -1.3627461512   0.2614451826
C    2.6214823202  -1.1288352326   0.1059335291
C    3.0467267143  -1.6502604854  -1.1115889475
C    2.8548818577   0.2151215159   0.3734199324
C   -0.8520408729   0.9596182435   0.4310162162
C    3.6784981340  -0.8504806061  -2.0502465310
C    3.4916670043   1.0291906194  -0.5502537762
C   -3.1177849174  -3.3465219188   0.9991870247
C   -1.1357742890   1.7787741913   1.5270447636
C   -1.1557861817   1.4476625819  -0.8396536917
C    3.8918407499   0.4880321121  -1.7603692803
C   -1.7186888873   3.0237093221   1.3746640811
C   -1.7296950055   2.6952362124  -1.0145164529
C   -2.0092863695   3.4733546521   0.0962755702
C   -2.7663214510  -4.9823800896  -0.2279570349
H   -2.6661218043  -0.8945055969  -0.0787907352
H   -1.8411546148  -1.5682651490  -1.4781858492
H    2.5498904176  -2.8387344964   1.4102229287
H    1.6770085759  -1.4371465454   2.0156190384
H    2.8745176550  -2.6937739970  -1.3459955009
H    2.5238123307   0.6433604058   1.3105428174
H    3.9962191714  -1.2685391763  -2.9956483584
H    3.6607074770   2.0741166878  -0.3284122845
H   -3.4178577522  -2.6707254550   1.7846994354
H   -0.9119061625   0.8532316892  -1.7108864703
H   -1.9382486209   3.6324561142   2.2407002200
H   -1.9484786797   3.0527249997  -2.0111726722
H   -2.7624534508  -5.9920580932  -0.6074578701
*