! 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  -5.0786277005  -2.2148424625  -0.3567722867
O    1.6199692726  -1.5375861976  -0.4992972152
N    1.8251740123  -0.1773830774  -0.8702445502
N    0.5762088912   3.7282356778  -0.6670225711
C    2.1757849935   0.4843757454   0.3993585603
C    1.1083463247  -0.1401477073   1.3205726242
C    0.8132561276  -1.5032617191   0.6591410003
C    1.9569477685   1.9748075104   0.2295364762
C    3.5780528320   0.1453095046   0.9066667827
C   -0.6516458658  -1.6996187245   0.3601868359
C    2.8306423857  -0.1722045465  -1.9041801732
C    2.7877559769   2.9319602316   0.7970946443
C    0.8591591565   2.4461647593  -0.4932890868
C   -1.2353928687  -1.2470025060  -0.8194203543
C   -1.4575143596  -2.3246431381   1.3052365995
C    2.4972534655   4.2781081701   0.6267288985
C   -2.5945388857  -1.4054000661  -1.0444050490
C   -2.8190470425  -2.4873245978   1.0975648314
C    1.3833012256   4.6271865418  -0.1146623482
C   -3.3776261188  -2.0216603825  -0.0809318891
H    1.4749286521  -0.2499040019   2.3404712015
H    0.2106540163   0.4760903668   1.3622266598
H    1.1534892125  -2.3245487376   1.2952687731
H    4.3637013803   0.5769369015   0.2850092162
H    3.7290112514  -0.9339759909   0.9359783871
H    3.7215187724   0.5118976334   1.9226569468
H    3.7585971043  -0.6898844220  -1.6371350514
H    3.0683541112   0.8628809835  -2.1472206691
H    2.4261316139  -0.6345189944  -2.8048422696
H    3.6582564371   2.6491140705   1.3732209342
H    0.1796763710   1.7419478758  -0.9591171603
H   -0.6383412205  -0.7557711012  -1.5757862564
H   -1.0216844501  -2.6984069608   2.2243742130
H    3.1273080443   5.0417294124   1.0621108960
H   -3.0357330193  -1.0488964567  -1.9655401379
H   -3.4282305991  -2.9782631284   1.8442099526
H    1.1281734813   5.6696457150  -0.2681585822
*