! 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  -4.5135297553  -2.0279592430   0.6906104174
Cl  -1.0550806663   1.3327958826  -1.4871371102
O    3.0202439908   1.9035128316  -0.5922776768
N    1.4781792705   0.3397561006   0.0119202478
N   -1.2929881363   3.6605618338  -0.4042581011
C    1.4434739479  -2.0573830629   0.0267540951
C    2.1837733220  -0.8665413822  -0.0827750292
C   -0.0289463947  -2.0445441418   0.2066921438
C    2.1022851878  -3.2771574320  -0.0720774499
C    3.5632210867  -0.9329700518  -0.2801158499
C   -0.6152363511  -1.5862803745   1.3853304661
C   -0.8569063578  -2.5041610395  -0.8147917803
C    3.4726608422  -3.3424026344  -0.2690373811
C    4.1939158300  -2.1645079436  -0.3713103711
C    1.8893113944   1.5946937375  -0.2664832269
C    0.8587471391   2.6668840570  -0.0766905470
C   -1.9933847667  -1.5756807875   1.5401963008
C   -2.2348472396  -2.5055800429  -0.6718403908
C   -2.7918869001  -2.0357088150   0.5065633412
C    1.2672264686   3.8153603103   0.5950787962
C   -0.4484952096   2.6723680604  -0.5614995402
C    0.3824405896   4.8606087428   0.7834150998
C   -0.8940552786   4.7344545764   0.2650298126
H    1.5257539677  -4.1898157913   0.0132932971
H    4.1524918209  -0.0354354160  -0.3653074596
H    0.5108361110   0.2417666138   0.2799681136
H    0.0049569002  -1.2426172463   2.2043802668
H   -0.4239010589  -2.8600754311  -1.7405588061
H    3.9673703008  -4.3016743270  -0.3401279504
H    5.2648997319  -2.1927889709  -0.5242736913
H   -2.4317890510  -1.2183016670   2.4616931430
H   -2.8630437658  -2.8646640700  -1.4755310294
H    2.2770567298   3.8817279349   0.9774551225
H    0.6764287819   5.7546134017   1.3137760442
H   -1.6234529839   5.5259220521   0.3837862351
*