! 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   1.8478232140  -1.8900719723   1.5136698442
Cl  -8.1697032631   0.2985027241   0.2346937031
Cl   6.2008386557  -1.6987253582  -1.6308511350
S   -1.4711055185   1.3353442604   0.0266495400
N    2.2787357473   1.9192049565   0.7943293658
N    0.6096988188  -0.1647305057  -0.5224316921
N    3.5003288240   2.0944195544   0.2833229828
N    3.6277187164   1.2920801721   2.3694725528
C    1.0909119038   2.2202471566   0.0377067558
C   -2.2276294898  -0.2520550625  -0.4408774457
C    0.2259108749   0.9942454642  -0.1999967320
C   -3.7108486922  -0.1231641375  -0.2750856833
C   -4.4924779977   0.4152269355  -1.2929405955
C   -4.3287659482  -0.5190763400   0.9065463092
C    1.9402072372  -0.4778789120  -0.7778043774
C   -5.8637663167   0.5483407032  -1.1445787800
C   -5.6997115929  -0.3948648619   1.0710429874
C    2.3695046879   1.4424061140   2.0403501319
C    2.6379127919  -1.3184940822   0.0892931447
C    2.5861429766  -0.0515497164  -1.9350479908
C   -6.4560526692   0.1401400748   0.0405398105
C    3.9481004666  -1.6893781953  -0.1561058886
C    3.8889302478  -0.4273327762  -2.2094874886
C    4.5635628550  -1.2360851749  -1.3109441880
C    4.2762313355   1.7043791224   1.2602988646
H    1.4023087506   2.6391026576  -0.9191020247
H    0.5194447263   2.9966047148   0.5492413046
H   -1.8153930436  -1.0324102685   0.1979205367
H   -1.9549148648  -0.4784718251  -1.4714816409
H   -4.0310889188   0.7318321456  -2.2204643245
H   -3.7385047878  -0.9372567218   1.7127049406
H   -6.4598903981   0.9629761667  -1.9461233740
H   -6.1676446755  -0.7135412535   1.9925587574
H    1.5090231187   1.2275888501   2.6550320429
H    2.0544542263   0.5773677653  -2.6375048702
H    4.4745575533  -2.3241750150   0.5430744054
H    4.3698544503  -0.0838627269  -3.1149469312
H    5.3513829575   1.7182622542   1.1725108252
*