! 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  -2.1269149141  -0.8503381466  -2.5748061912
Cl   4.3608943967   3.0021799227   1.1323097019
Cl  -3.3033828032   3.7037685595   0.0200131415
S    1.5460218596  -3.1796857480  -0.0797426877
N   -1.9313182282  -1.9526778469   1.3263967889
N    0.0880656869  -1.0754382399  -0.6276767920
N   -2.7396164580  -2.4484578677   0.3877343815
N   -3.8202862482  -0.9426371466   1.6444736086
C   -0.5616255235  -2.3710531775   1.4109353521
C    2.6040647896  -2.2413894278  -1.2243360629
C    0.2363050575  -2.0400355943   0.1662617938
C    3.0729489231  -0.9379736298  -0.6489944446
C    2.7470257104   0.2622941916  -1.2700079676
C    3.8212174286  -0.9001323881   0.5238116705
C   -0.7529038598   0.0039625443  -0.4212229140
C    3.1449887275   1.4780276048  -0.7348515524
C    4.2259182698   0.3053855235   1.0746322611
C   -2.5868424740  -1.0536308364   2.0677654321
C   -1.8088588631   0.2610406727  -1.2958342641
C   -0.4845806903   0.9434411322   0.5742175741
C    3.8777446069   1.4880584357   0.4400037822
C   -2.6036470484   1.3860948059  -1.1592521322
C   -1.2588910234   2.0808259473   0.7172748459
C   -2.3205635528   2.2883652876  -0.1477904045
C   -3.8598213759  -1.8126705830   0.6137263208
H   -0.5268709467  -3.4466480335   1.5964496974
H   -0.0982429914  -1.8907346887   2.2740671726
H    2.0706320372  -2.0959971266  -2.1623767270
H    3.4395397666  -2.9156025879  -1.4234221907
H    2.1604217760   0.2559781869  -2.1793299033
H    4.0870549518  -1.8205518689   1.0295770220
H    2.8733168451   2.4024294240  -1.2262559068
H    4.8036081588   0.3189845230   1.9889883528
H   -2.1298062408  -0.5207084342   2.8868767350
H    0.3581297937   0.7843383278   1.2350984106
H   -3.4274294195   1.5550181672  -1.8388932034
H   -1.0304786384   2.7945025349   1.4968087092
H   -4.7425771469  -1.9847457712   0.0178504496
*