! 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  -0.2840113401  -1.4248230974   1.0117284981
Cl  -4.7678361472  -2.2409043960   1.0999780997
Cl   3.1568982267  -4.6571360626  -1.5459235156
S   -0.3004854228   2.9064287183  -0.1981339056
N    2.1861964283   2.7047071230   1.2372042089
N    0.4274261945   0.5600558046  -1.1190048221
N    2.8344028215   3.6005217378   0.4885855616
N    2.4230478547   4.4263832954   2.5293167279
C    1.8291515319   1.4174976423   0.7116579250
C   -1.7151940292   2.3918125155  -1.2146409906
C    0.6992722575   1.4737364776  -0.2929793469
C   -2.4803996188   1.2392522011  -0.6346910045
C   -3.0087485243   1.3064380563   0.6505164058
C   -2.6815284359   0.0820599563  -1.3772097972
C    1.1161134901  -0.6447128230  -1.1663325661
C   -3.7144212075   0.2434807974   1.1898186012
C   -3.3920749216  -0.9889054842  -0.8572630028
C    1.9450571046   3.2110598175   2.4510887664
C    0.8512556696  -1.6789918897  -0.2652932982
C    2.0287456060  -0.8914349156  -2.1907418029
C   -3.8971352865  -0.9001463151   0.4282062723
C    1.4727112254  -2.9128847559  -0.3745124650
C    2.6652087155  -2.1135000867  -2.3106128929
C    2.3794514904  -3.1183557361  -1.3998404797
C    2.9546507951   4.6147891955   1.3040277129
H    1.5218051570   0.7857720143   1.5467461724
H    2.7086082786   0.9585510852   0.2594291834
H   -1.3696183942   2.1769099032  -2.2250413124
H   -2.3342217136   3.2901213586  -1.2691874615
H   -2.8631338088   2.1954688535   1.2523348518
H   -2.2715787564   0.0040698236  -2.3758320041
H   -4.1157757304   0.3096712736   2.1920576710
H   -3.5334886106  -1.8847057765  -1.4466851942
H    1.4313779725   2.6625312497   3.2253320031
H    2.2361046663  -0.1066916013  -2.9064234157
H    1.2495318352  -3.6981016468   0.3347047517
H    3.3734598899  -2.2761749713  -3.1113046085
H    3.4470865277   5.5277479419   1.0074829186
*