! 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   0.3471843034   1.9247541387   1.9024292696
Cl   4.7843757020   1.8882881394   0.9758041407
Cl  -0.8829344971   4.4077962445  -2.6910025811
S   -0.6248756042  -2.3919917597  -0.6184704957
N   -2.2702334939  -3.5676049713   1.4550232887
N   -1.4053516145  -0.2121477454   0.9291781050
N   -3.4615391446  -3.5238867901   0.8540662648
N   -2.7264998905  -5.6344772211   0.9958166705
C   -1.6244333895  -2.3594518763   1.8926143694
C    0.4160332680  -1.3106227420  -1.6327977620
C   -1.2586692448  -1.4480073703   0.7383487855
C    1.4786403866  -0.5236268081  -0.9216424403
C    2.1363460897  -0.9913490045   0.2102094762
C    1.8607738968   0.7031545782  -1.4549653001
C   -1.2378955187   0.8197550952   0.0268443155
C    3.1553667460  -0.2570118479   0.7966502203
C    2.8761390705   1.4500828247  -0.8813545575
C   -1.8429886790  -4.8313308470   1.5322958648
C   -0.4891375182   1.9391028687   0.3982003416
C   -1.9043827257   0.8581904340  -1.1968868715
C    3.5165163285   0.9603543491   0.2447036761
C   -0.3734380495   3.0418821847  -0.4274900653
C   -1.8051413303   1.9554156490  -2.0357163355
C   -1.0332360470   3.0373757316  -1.6454576716
C   -3.6942305430  -4.7840280633   0.5970242366
H   -0.7175722571  -2.6366970733   2.4317658209
H   -2.2759161226  -1.8191459588   2.5766188669
H   -0.1998475369  -0.6630263074  -2.2538080440
H    0.8819528985  -2.0313185137  -2.3114296699
H    1.8611100545  -1.9417089466   0.6505054129
H    1.3567901043   1.0911536819  -2.3319482974
H    3.6562493188  -0.6341872291   1.6779536491
H    3.1551128389   2.4044366735  -1.3070178878
H   -0.8996820252  -5.1056362799   1.9785317126
H   -2.5251963566   0.0209862306  -1.4911529853
H    0.2312135167   3.8859112399  -0.1261319534
H   -2.3274419631   1.9586015850  -2.9823798633
H   -4.5987034707  -5.1061078074   0.1045206453
*