! 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  -1.7355143679  -0.3079815498  -3.9093833037
Cl   3.3345542670   2.0451095466   3.1632843559
Cl  -3.6262488997   4.1180527485  -1.5225917847
S    0.8400991208  -3.0008960132  -0.6778031600
N   -1.0329674124  -2.0708871357   1.6523821472
N   -0.2770629896  -0.7357548616  -1.3987466834
N   -0.5438144273  -0.9627952557   2.2114303096
N   -0.2892953708  -2.7099659880   3.5839555687
C   -1.5256992050  -2.0553465309   0.2996000725
C    2.3048456673  -2.0180096987  -1.1382521530
C   -0.3964346403  -1.7502480405  -0.6619795947
C    2.6148250623  -0.9976516348  -0.0867915219
C    2.4568054103   0.3593230818  -0.3413899418
C    3.0199804776  -1.3967353136   1.1845505988
C   -1.1239972405   0.3625536569  -1.3717889314
C    2.6819695823   1.3035124003   0.6508871880
C    3.2530565633  -0.4693709556   2.1841434254
C   -0.8627444011  -3.1087432754   2.4755023677
C   -1.8266107766   0.7182474802  -2.5247445459
C   -1.2126312883   1.2059680946  -0.2649745510
C    3.0713015494   0.8777868348   1.9084738991
C   -2.6028508589   1.8627654203  -2.5794740240
C   -1.9775354333   2.3593896606  -0.3041417266
C   -2.6680744844   2.6786115358  -1.4615613447
C   -0.1122195797  -1.3906884900   3.3686065379
H   -2.3310483771  -1.3282161248   0.2057198563
H   -1.9459785834  -3.0373997953   0.0780997630
H    2.1450241916  -1.5681310289  -2.1164927081
H    3.1028163319  -2.7559287886  -1.2378546635
H    2.1479158161   0.6918838678  -1.3236909636
H    3.1436107117  -2.4494536335   1.4084275387
H    2.5467340001   2.3557711313   0.4401941707
H    3.5635331373  -0.7947495554   3.1678354385
H   -1.1734561493  -4.1125283449   2.2313653844
H   -0.6692258722   0.9496105895   0.6351937039
H   -3.1448163557   2.1114785213  -3.4815303372
H   -2.0308132485   2.9993641772   0.5658496270
H    0.3464961088  -0.7281676344   4.0858697654
*