! 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   0.3228130878   1.3552746244   1.1363327134
Cl   4.7153668834   2.3042929791   0.9536372821
Cl  -2.9683820219   4.7108398943  -1.4578525883
S    0.3107814188  -2.9369565603  -0.0950597124
N   -2.2720930532  -2.7209342081   1.2225835181
N   -0.4288730898  -0.5975614822  -1.0200961390
N   -3.0033824332  -3.4075450422   0.3417997266
N   -2.7485240200  -4.5743885511   2.2357922504
C   -1.7517224652  -1.4235618594   0.8928581838
C    1.6979083932  -2.4435923802  -1.1627944555
C   -0.6763057296  -1.4925148697  -0.1677499854
C    2.4662155689  -1.2673733356  -0.6370236125
C    3.0485722197  -1.3002456771   0.6257898631
C    2.6075325182  -0.1179854874  -1.4056493794
C   -1.0763267528   0.6277031083  -1.0625475859
C    3.7460448641  -0.2100987869   1.1198623951
C    3.3067376641   0.9805032811  -0.9304923942
C   -2.1254216869  -3.4290832238   2.3473758824
C   -0.7887338913   1.6493234243  -0.1535364456
C   -1.9626889716   0.9106294437  -2.1008569650
C    3.8633311792   0.9267004238   0.3356162973
C   -1.3634771659   2.9052617788  -0.2682857522
C   -2.5550187013   2.1537111349  -2.2245609609
C   -2.2471562212   3.1451679326  -1.3060016140
C   -3.2670702313  -4.5099214171   0.9921622969
H   -1.3277037943  -0.9871272496   1.7983153859
H   -2.5686869334  -0.7809446784   0.5639935230
H    1.3227519483  -2.2598461046  -2.1685644203
H    2.3211196920  -3.3392830185  -1.2083904883
H    2.9521908992  -2.1838223736   1.2452416923
H    2.1575396252  -0.0689604322  -2.3886279957
H    4.1897394615  -0.2488630431   2.1055700423
H    3.3997398200   1.8705614022  -1.5380125864
H   -1.5707083812  -3.0703968349   3.2003570309
H   -2.1847760369   0.1357345003  -2.8226948521
H   -1.1215846331   3.6811228425   0.4451104393
H   -3.2443712164   2.3450113459  -3.0352205813
H   -3.8576051907  -5.3007716054   0.5564969546
*