! 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  -5.5564485645  -0.2083902191   0.7443220245
O    2.6530381100  -1.0323494516  -1.6595841834
O    0.0424831599  -0.8894008293  -0.8473563670
N    1.1226552810   1.0615664930  -0.1569636683
N    1.5699527198   1.5869671782  -1.3030567971
N    1.0338915489   3.2071856513   0.1399251617
C    3.5327491143  -0.7919530468   0.6318796846
C    2.3321228793  -1.1128880544  -0.2964272970
C    1.0248650125  -0.3706735235   0.0162739880
C    4.5826611779  -1.8805428416   0.3818206305
C    4.1836861518   0.5668165625   0.3621389058
C    3.1035051018  -0.8670123011   2.0983014932
C    0.7984824074   2.0423172768   0.6923878187
C   -1.2579897127  -0.7034577973  -0.4619173832
C    1.5048274971   2.8742402997  -1.0786679601
C   -1.9133617087  -1.7303386744   0.2035262454
C   -1.9276605399   0.4752342826  -0.7621800116
C   -3.2412702425  -1.5839085591   0.5710051135
C   -3.2533275075   0.6314683680  -0.3854179453
C   -3.8985432344  -0.3984983675   0.2800771048
H    2.0835360321  -2.1643215457  -0.1074005336
H    0.7481009159  -0.5350311141   1.0610661638
H    4.9282671411  -1.8847833556  -0.6524133074
H    5.4555729139  -1.7230638127   1.0182154534
H    4.1910361872  -2.8756823244   0.6059345204
H    5.1024907174   0.6483051087   0.9465131834
H    3.5613361819   1.4133697192   0.6526283814
H    4.4663535823   0.6944863990  -0.6839293608
H    2.4543935948  -0.0400244890   2.3938627925
H    3.9783478210  -0.8209397234   2.7495133173
H    2.5818915211  -1.8001071088   2.3260595823
H    2.6329374893  -0.1054032659  -1.9350807499
H    0.4037900064   1.8611105959   1.6801817893
H    1.8042524169   3.5981085961  -1.8204239451
H   -1.3921079381  -2.6534094287   0.4234195459
H   -1.4356496676   1.2663878031  -1.3131524106
H   -3.7525765094  -2.3896044684   1.0797869828
H   -3.7741554466   1.5498378798  -0.6194365138
*