! 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  -0.2362854546   1.2375034933   1.6553259295
Cl   4.1263878226   2.2538522888   1.9334566844
Cl  -1.4395543620   4.0614047390  -2.7473892975
S    0.4488283111  -2.6864928452  -1.5146404017
N   -2.0315212721  -3.2004675999   1.5193857927
N   -1.1250845782  -1.0779983924   0.1142460431
N   -3.2223586146  -3.6030117933   1.0698567883
N   -3.4388626736  -2.5103556557   3.0134582601
C   -0.8501617710  -3.3643879537   0.7265080370
C    1.3442735503  -1.2226223351  -2.1035259834
C   -0.6103300927  -2.1818401770  -0.1928277995
C    2.0135994280  -0.3838820666  -1.0537021466
C    2.0985828276   0.9899309992  -1.2533201439
C    2.5998132533  -0.9289341191   0.0831346209
C   -1.1387484347   0.0963716164  -0.6091164979
C    2.7507301392   1.8080581358  -0.3453144486
C    3.2549385145  -0.1250598902   1.0024753674
C   -2.1756969131  -2.5370763827   2.6682759212
C   -0.8078265166   1.2925572667   0.0329207517
C   -1.5929351240   0.1659780502  -1.9252602453
C    3.3229976497   1.2403108249   0.7803956564
C   -0.8925463780   2.5113642113  -0.6144388791
C   -1.6931610737   1.3776955265  -2.5878371489
C   -1.3353364615   2.5415536922  -1.9271273442
C   -4.0333027700  -3.1744042924   2.0010941685
H   -0.9390151055  -4.2930897344   0.1623660911
H    0.0144444679  -3.4742087765   1.3832560084
H    0.7011423334  -0.6155771475  -2.7383507637
H    2.0951190842  -1.6693813053  -2.7619608022
H    1.6470260124   1.4372972377  -2.1304866639
H    2.5537129944  -1.9953273304   0.2655229632
H    2.8003465937   2.8752238383  -0.5138585136
H    3.7028044473  -0.5646446652   1.8833541122
H   -1.3463403093  -2.1074403992   3.2082824511
H   -1.8893675337  -0.7424408180  -2.4346833573
H   -0.6088407743   3.4205720392  -0.1023891555
H   -2.0483969218   1.4054962656  -3.6087080708
H   -5.0972709811  -3.3499947349   1.9529115140
*