! 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  -5.3380367899  -0.8576920056  -0.1358599700
O    3.1222771272   1.5722721264   0.6242111921
O    2.2179190322  -1.9728391815  -1.8747535751
N    2.5715443496  -0.4326754474  -0.2462461495
N    0.6030002553  -1.7173464379  -0.3016303515
N   -0.8594153031  -2.7077131923   1.0110049854
C    2.0760647560   0.6328809859   0.6846887025
C    3.9704482416  -0.1553798286  -0.6502452593
C    4.3236153147   0.8698321953   0.4223052261
C    0.8163440382   1.3131802050   0.1581222959
C    1.9235525945   0.1354295558   2.1210016845
C    4.8724212986  -1.3751537616  -0.5432932501
C    4.0514614499   0.4836098250  -2.0355131437
C    0.3631694147   2.5170317518   0.9755614769
C    1.8646089571  -1.3766383140  -0.8795748829
C   -0.8866019400   3.1685536977   0.3734888612
C   -2.0346655669   2.2063228108   0.2378237550
C   -0.6034788159  -1.6712918185  -0.9594443414
C    0.3896392483  -2.3727588476   0.8718460995
C   -2.4464989466   1.7450268905  -1.0084951065
C   -2.6803646382   1.7068411069   1.3672754592
C   -1.4925542028  -2.2620872579  -0.1181957098
C   -3.4656321059   0.8119686710  -1.1353496118
C   -3.6970647457   0.7710706335   1.2631387636
C   -4.0801089914   0.3294904693   0.0064442955
H    4.6709527707   0.3834822070   1.3432932072
H    5.0941836794   1.5691220657   0.0976605273
H   -0.0007823239   0.5937390733   0.1394584067
H    0.9937265895   1.6163698520  -0.8790085857
H    0.9728252410  -0.3657267376   2.2878940940
H    1.9624016872   0.9833576838   2.8048089740
H    2.7209414191  -0.5523839232   2.4027763126
H    4.7164022464  -2.0835301428  -1.3539535837
H    4.7275488584  -1.8963869200   0.4041060213
H    5.9146071178  -1.0530884139  -0.5865309781
H    3.4525407750   1.3936479774  -2.0928449357
H    5.0861031577   0.7536078694  -2.2533364907
H    3.7174431584  -0.1948308419  -2.8174591029
H    0.1432282801   2.2140665551   2.0026677095
H    1.1528676515   3.2687299852   1.0338296346
H   -0.6422636185   3.5865536126  -0.6061720207
H   -1.1790890136   4.0111129492   1.0052606356
H   -0.7176268283  -1.2023494397  -1.9220340638
H    1.1894384298  -2.5979147767   1.5597250365
H   -1.9617158480   2.1139550240  -1.9045758674
H   -2.3862288165   2.0476020891   2.3533118187
H   -2.5539772712  -2.3870437781  -0.2618490965
H   -3.7674408841   0.4640049026  -2.1142501096
H   -4.1836119688   0.3930808127   2.1523878346
*