! 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  -0.9659595672   1.3560589623   3.0225644436
Cl   4.9509350650   1.4940901403  -2.6558762954
Cl  -2.9823081428   4.9109954143  -0.4625053859
S    0.4437256509  -2.7299280037   0.5438731609
N   -2.3616645317  -2.9992365742  -0.1752362376
N   -0.2756907269  -0.2103730815   0.6513378064
N   -2.8876824900  -3.1941784903   1.0353501175
N   -2.9291478690  -5.0887357837  -0.1584136682
C   -1.8449147724  -1.7113678830  -0.5517912653
C    1.8959312362  -1.9019956773   1.2532899384
C   -0.6030709250  -1.3572473210   0.2385891897
C    2.6493523499  -1.0557232495   0.2716319517
C    3.2440866475  -1.6243376366  -0.8515546173
C    2.7805622359   0.3134223949   0.4741266579
C   -0.9692242086   0.9496934269   0.3586879091
C    3.9524431934  -0.8490063872  -1.7560069634
C    3.4906347133   1.1044475546  -0.4175358142
C   -2.3890854265  -4.1369691440  -0.8768091078
C   -1.3183414464   1.8168762461   1.3982195231
C   -1.2411329586   1.3614288794  -0.9461441999
C    4.0688621619   0.5145314546  -1.5294789423
C   -1.9447479155   3.0269228253   1.1579427850
C   -1.8572347343   2.5727948870  -1.2088607740
C   -2.2101018186   3.3948886430  -0.1518367212
C   -3.2123498827  -4.4597375539   1.0005344688
H   -2.6195822007  -0.9586087917  -0.4062163991
H   -1.6043218793  -1.7435816842  -1.6151881353
H    2.5128528792  -2.7261426295   1.6178261500
H    1.5777235502  -1.3237892926   2.1200826979
H    3.1544921975  -2.6887143670  -1.0341516316
H    2.3179102911   0.7765155325   1.3362867166
H    4.4087094572  -1.3052863545  -2.6246439113
H    3.5833305452   2.1683059894  -0.2445425299
H   -2.0143116934  -4.2149533585  -1.8861839621
H   -0.9394178510   0.7357051380  -1.7763413790
H   -2.2169960713   3.6730139863   1.9813787684
H   -2.0518371508   2.8673252834  -2.2309057032
H   -3.6784906414  -4.9507512669   1.8410746294
*