! 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   1.5238571181   0.1252263135   3.1083504170
Cl  -4.0462916303  -2.4474727861  -2.8149915547
Cl   3.4398656113  -3.6315284613  -0.2198555920
S   -1.6066324658   3.0616768383   0.5280476810
N    2.1222342244   2.1445379428  -0.3410429038
N   -0.2418045918   0.8494344270   0.8497364285
N    2.6769605038   2.4116897622   0.8416151800
N    4.0808508296   1.2266961222  -0.4382323812
C    0.7866795466   2.5766117825  -0.6367193587
C   -2.8594137403   1.9031517983   1.1594910956
C   -0.2468734739   1.9801645995   0.2967658008
C   -3.1849588548   0.8169584741   0.1783191734
C   -3.7205470822   1.1210683084  -1.0698712316
C   -2.9376170860  -0.5149220301   0.4901520516
C    0.6655574126  -0.1584667945   0.5710220820
C   -3.9935409498   0.1244941393  -1.9928557194
C   -3.2054923231  -1.5261590142  -0.4206114546
C    2.9673656211   1.4332466709  -1.0932819913
C    1.5309951060  -0.6294480060   1.5584377978
C    0.6497999222  -0.8214421731  -0.6558557428
C   -3.7262604835  -1.1949043922  -1.6598827186
C    2.3931641891  -1.6858324280   1.3201250336
C    1.4930899146  -1.8889783816  -0.9071507650
C    2.3675594560  -2.3062216167   0.0824929715
C    3.8485022040   1.8407373056   0.7400426695
H    0.5461557847   2.3018575824  -1.6644042616
H    0.7451041505   3.6657359354  -0.5882844723
H   -3.7268595880   2.5350916737   1.3607357226
H   -2.5205932526   1.4982768456   2.1119740080
H   -3.9221285510   2.1509055291  -1.3393155643
H   -2.5195953605  -0.7743604184   1.4536780126
H   -4.4077505450   0.3772177595  -2.9595255805
H   -2.9987216516  -2.5562499237  -0.1637390293
H    2.7300689809   1.1022143671  -2.0916622562
H   -0.0462484671  -0.4999866429  -1.4204054292
H    3.0697972357  -2.0194004541   2.0946814115
H    1.4638112667  -2.3853240455  -1.8673850047
H    4.5673362635   1.8697129616   1.5434260852
*