! 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   1.6052990402  -1.0702093693   2.8947597650
Cl  -8.0438928749   0.7022270375  -1.5205281509
Cl   6.0502543932  -2.5345599540   0.2657315425
S   -1.5519707298   1.1262342583   0.4267559355
N    2.2184109233   1.9663361998   0.2701783246
N    0.5243705512  -0.4550930135   0.1465840070
N    2.2032643334   2.1988015879  -1.0431682688
N    4.3073296194   2.0269181926  -0.2966872849
C    0.9895924543   1.8426554584   1.0030086871
C   -2.3144021422  -0.4318020723  -0.1221727404
C    0.1380120689   0.6952155321   0.4934848509
C   -3.7459390292  -0.1520351749  -0.4636792220
C   -4.7568796329  -0.3552822361   0.4692454893
C   -4.0833383584   0.3348358620  -1.7234213033
C    1.8431372711  -0.8882813672   0.2043835825
C   -6.0819862079  -0.0946878176   0.1529572744
C   -5.4013702068   0.6004837441  -2.0559739067
C    3.4786618868   1.8621653584   0.7029928912
C    2.4613010495  -1.2518052036   1.4015812666
C    2.5593757718  -1.0751175497  -0.9775587531
C   -6.3919535625   0.3807478685  -1.1108532192
C    3.7496684286  -1.7611960017   1.4318399386
C    3.8501464468  -1.5674783361  -0.9676282811
C    4.4378528233  -1.9069334362   0.2408498482
C    3.4769982897   2.2254315778  -1.3404554521
H    0.4405892650   2.7836405922   0.9420606141
H    1.2222212741   1.6795845823   2.0562481246
H   -2.2234760216  -1.1721837463   0.6718459452
H   -1.7593163886  -0.7922011564  -0.9876288331
H   -4.5161164616  -0.7295546052   1.4566945797
H   -3.3101373819   0.5044912385  -2.4628792795
H   -6.8591926953  -0.2638786305   0.8857753735
H   -5.6498025919   0.9706848278  -3.0413324829
H    3.7339878103   1.6745957596   1.7345160882
H    2.0883705814  -0.8216473817  -1.9176553502
H    4.2051917183  -2.0328672419   2.3742446544
H    4.3883061744  -1.6859493597  -1.8978713890
H    3.8227000171   2.3985099016  -2.3476629986
*