! 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  -5.4270955178  -0.5609716857   0.2522318284
O    3.0123642908  -0.0075999721  -1.3001959702
O    0.3771977416  -0.4610335358  -0.5337662066
N    1.1634946897   1.6334727270   0.0673447305
N    1.3502265609   2.5038173515   1.0613701131
N    1.0527798835   3.5770550441  -0.8793276086
C    2.9839137385  -1.7510942624   0.3979911533
C    2.6892958531  -0.2759274406   0.0416981137
C    1.2585475385   0.2019932040   0.3119583566
C    2.4857923379  -2.0559295494   1.8115512120
C    2.3753134284  -2.7508591897  -0.5873028371
C    4.5077453386  -1.9154166745   0.3724646158
C    0.9954847718   2.2831526044  -1.0888415776
C   -0.9587593446  -0.4254527186  -0.2851413997
C    1.2763547125   3.6564509262   0.4466102755
C   -1.7471326875  -1.1710926448  -1.1570586565
C   -1.5538694830   0.2849560449   0.7504453851
C   -3.1189169400  -1.2151662291  -0.9943795082
C   -2.9327409030   0.2377868696   0.9130592723
C   -3.7072263115  -0.5088211942   0.0449966413
H    3.3061704990   0.3306547327   0.7188013155
H    1.0132016592   0.0599058387   1.3684604513
H    2.8459453800  -1.3254353048   2.5408356223
H    1.3960133794  -2.0853014216   1.8777285765
H    2.8447346791  -3.0350549938   2.1349784377
H    2.6627007539  -2.5369347859  -1.6172644343
H    1.2880936091  -2.7862007161  -0.5408898618
H    2.7370361778  -3.7551213145  -0.3554498874
H    4.7868653576  -2.9413084657   0.6209748844
H    4.9963946620  -1.2592287834   1.0972235856
H    4.9240140672  -1.6946813627  -0.6114889108
H    3.6598992540   0.7010655334  -1.3359288567
H    0.8215485051   1.7947282337  -2.0339767329
H    1.3821799680   4.5904943594   0.9762555770
H   -1.2829221381  -1.7212090892  -1.9656600160
H   -0.9851162148   0.8889461590   1.4440635237
H   -3.7204496344  -1.7994279037  -1.6772917467
H   -3.3878793335   0.7945822410   1.7207659221
*