! 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   1.4783757603  -1.7482782064   1.8671331972
Cl  -8.1962992080   0.1004594248  -0.2020407385
Cl   6.0181025760  -2.3754400616  -0.9264548834
S   -1.5094511619   1.2366210363   0.3890195345
N    2.3247692658   1.9790413655   0.8572972713
N    0.6132967845  -0.0491838422  -0.4546490125
N    3.3943074859   1.4259612176   1.4339343108
N    4.0123083510   2.7624360154  -0.2521067986
C    0.9888110715   1.6922054083   1.3038010142
C   -2.2125086332  -0.0493339888  -0.6901042015
C    0.1953293521   0.8491329692   0.3255419416
C   -3.7044605902  -0.0051786838  -0.5669753803
C   -4.4623577783   0.8168563964  -1.3947066144
C   -4.3561642438  -0.7797586584   0.3876752463
C    1.9147600648  -0.5314842386  -0.5079418434
C   -5.8440525027   0.8580930461  -1.2871876173
C   -5.7365460694  -0.7530178752   0.5068328215
C    2.7079303337   2.7739824894  -0.1473082379
C    2.4288867547  -1.3847677188   0.4696135920
C    2.7066869923  -0.2743223058  -1.6254795930
C   -6.4697653294   0.0675208068  -0.3362897705
C    3.6824990757  -1.9597693564   0.3488063914
C    3.9695879380  -0.8212306706  -1.7552256470
C    4.4470365211  -1.6659673550  -0.7658574970
C    4.3824314501   1.9202873208   0.7356304944
H    0.4672628201   2.6310884478   1.4957789607
H    1.0554081420   1.1676198041   2.2573162389
H   -1.8117795040  -1.0135343370  -0.3781517209
H   -1.8876640970   0.1360393526  -1.7132647229
H   -3.9744602391   1.4328686518  -2.1403415323
H   -3.7841688848  -1.4222473645   1.0459940732
H   -6.4214451202   1.4974730378  -1.9410016455
H   -6.2305159047  -1.3685099527   1.2464380596
H    2.0125274801   3.3275761332  -0.7593803870
H    2.3189831588   0.3686617736  -2.4045534278
H    4.0549053330  -2.6195357493   1.1203406371
H    4.5678124524  -0.5951571079  -2.6270974428
H    5.4100653344   1.6730998427   0.9506400447
*