! 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  -1.6185938689  -0.6271957821   3.2825454488
Cl   4.4463931028   1.7508841497  -3.6803605960
Cl  -4.1578176891   3.4423071240   0.8745460544
S    1.7225335485  -2.6504930315   0.9232516215
N   -1.9406811233  -1.9978666556  -0.3089879959
N    0.2530371726  -0.4776983434   0.9185573017
N   -1.6560687143  -1.6021849441  -1.5509242898
N   -3.7698993029  -1.0851048336  -1.0228372597
C   -0.9441808850  -2.6323051872   0.5042667115
C    2.9455056559  -1.3455939114   1.2475221996
C    0.2418266751  -1.7285178365   0.7775373175
C    3.3091147549  -0.5685613281   0.0185393168
C    4.0049641034  -1.1817731928  -1.0203171378
C    2.9753583614   0.7754531305  -0.1052445834
C   -0.8420508958   0.3709156203   0.8904039726
C    4.3580718291  -0.4780250800  -2.1594400985
C    3.3236122663   1.4970119563  -1.2384615291
C   -3.2032874485  -1.6815340582  -0.0054502965
C   -1.7527559541   0.4623762426   1.9445599570
C   -0.9829192378   1.2731111000  -0.1644458479
C    4.0097098537   0.8608560293  -2.2591523095
C   -2.7706532801   1.4019095753   1.9519653076
C   -1.9996168962   2.2084994321  -0.1828090469
C   -2.8880416734   2.2672831757   0.8793698260
C   -2.7803087573  -1.0582856613  -1.9391260839
H   -0.6160049694  -3.5506243355   0.0156441356
H   -1.3992348581  -2.9222089210   1.4523695659
H    3.8098168941  -1.8829942965   1.6416729054
H    2.5685815967  -0.7023226905   2.0416623063
H    4.2797005624  -2.2273066381  -0.9463194594
H    2.4369153981   1.2727786290   0.6901687504
H    4.9006024211  -0.9683861746  -2.9563198763
H    3.0575926570   2.5423544133  -1.3195278179
H   -3.6551759533  -1.9087626850   0.9473950127
H   -0.2771006581   1.2298641259  -0.9831142697
H   -3.4626668886   1.4479893794   2.7815689091
H   -2.0906442655   2.8886526172  -1.0183799787
H   -2.8953892558  -0.6266644624  -2.9209403586
*