! 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
O    1.2868974648   0.7825069491  -1.3553523912
N    0.7270131770  -1.9278020267  -0.4284639933
N   -0.2606495623  -1.5899534983  -1.2650018398
N   -1.0050829044  -3.0369049451   0.2632780256
C    3.5147396480   0.7122133989  -0.4440366991
C    2.0613204051   0.1631637364  -0.3705314969
C    4.1054784656   0.2527019097   0.8932854993
C    1.6864047003   0.4329309006   1.0804058435
C    2.9582851700   0.3782134704   1.9035871610
C    2.0492774479  -1.3691652220  -0.5852892732
C    3.4685295085   2.2428972318  -0.4844539736
C    4.3133342502   0.2126376359  -1.6405990154
C    0.4977318984   0.6495505168   1.6438831792
C    0.2657858199  -2.7852329733   0.4811274785
C   -1.2806493267  -2.2760008564  -0.8105957776
H    4.9763189764   0.8466636713   1.1748160109
H    4.4504733998  -0.7818617877   0.8226737062
H    3.0546801520   1.2853078730   2.5033406508
H    2.9454785076  -0.4548803243   2.6098715021
H    2.6998086081  -1.8830564298   0.1203778489
H    2.3953043819  -1.6085870305  -1.5913733679
H    4.4788150151   2.6440868527  -0.3816736329
H    3.0649768186   2.6151342793  -1.4260281230
H    2.8670721610   2.6700402764   0.3209020105
H    4.4947964841  -0.8631530802  -1.6119375842
H    3.8164066487   0.4466145687  -2.5841345580
H    5.2931967539   0.6939955194  -1.6631776704
H    0.4804862218   0.2672621398  -1.5098091903
H    0.8821815775  -3.2017080347   1.2622501889
H   -2.2543918171  -2.2210448127  -1.2708939651
C   -0.8491728953   0.7343268188   1.0506599961
C   -3.4550898644   0.8516408759   0.0663396178
C   -1.1925739951   1.6302255966   0.0382017451
C   -1.8595093855  -0.0664339182   1.5854703472
C   -3.1545990477  -0.0230902845   1.0973578834
C   -2.4848761954   1.6880978280  -0.4608283312
H   -0.4495260866   2.3055812329  -0.3605662298
H   -1.6302510975  -0.7505353691   2.3927059860
H   -3.9159158889  -0.6661090040   1.5179994964
H   -2.7297238911   2.3901000031  -1.2467073529
Cl  -5.0727458487   0.9164300971  -0.5562529595
H    0.4990944899   0.7405418461   2.7290532576
*