! 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  -0.8624257381  -1.8344373551   0.8617006474
Cl  -5.2927658057  -2.2107507161   0.3071221075
Cl   3.6135963382  -4.3799899528  -0.6778655869
S   -0.5126252713   2.9227324767   0.2541070833
N    2.5149216138   2.7988420402   1.0035829592
N    0.3545706070   0.5284416828  -0.3914783098
N    3.2298889760   2.7526789350  -0.1213895379
N    3.5298233330   4.7097198447   0.9215254113
C    1.6518712948   1.7051195713   1.3676040891
C   -1.6796697353   2.4046471557  -1.0317842272
C    0.5530992293   1.5344461245   0.3396547925
C   -2.5596199464   1.2455525529  -0.6642026644
C   -2.7059241410   0.1846025565  -1.5496664032
C   -3.2741134984   1.2204138404   0.5279368486
C    1.1699256634  -0.5948398939  -0.3978041216
C   -3.5496769470  -0.8768039266  -1.2659271822
C   -4.1148594111   0.1618891119   0.8343481977
C    2.6949734863   3.9734035165   1.6126083339
C    0.6871432879  -1.8040209248   0.1067667357
C    2.4342757354  -0.5854186316  -0.9833589406
C   -4.2459601220  -0.8801007669  -0.0695133808
C    1.4314579808  -2.9689125732   0.0290573732
C    3.1901360865  -1.7419576374  -1.0744471099
C    2.6807408422  -2.9262734701  -0.5684291562
C    3.8253549240   3.9171670842  -0.1270248430
H    1.2198880068   1.9217651071   2.3449064902
H    2.2391930808   0.7927988760   1.4619744923
H   -1.1221455072   2.2017975000  -1.9457044803
H   -2.2766080384   3.3014396258  -1.2140208691
H   -2.1473528841   0.1763548073  -2.4770565604
H   -3.1759033779   2.0304846479   1.2404680040
H   -3.6471740761  -1.6959840105  -1.9654159051
H   -4.6621742053   0.1553171694   1.7673779757
H    2.2107026378   4.2355932232   2.5401018636
H    2.8263999081   0.3442032439  -1.3746868664
H    1.0395699018  -3.8928043821   0.4317608002
H    4.1678142645  -1.7108266297  -1.5351011034
H    4.5002505604   4.2059328095  -0.9177560935
*