! 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  -2.9883418640   3.5249043605   0.4035088752
N   -0.6414927957  -2.3470357184  -0.8512717615
N   -0.7771692828  -3.4249498250  -0.0748130341
N   -2.7835545625  -2.6148367046  -0.6486089284
N    1.5119736521  -2.1535947785   2.1650633602
C    1.1655086876  -0.8246123691  -0.0587466717
C    2.5632074695  -0.3220559928  -0.4849385967
C    0.6541729178  -1.8008956245  -1.1478504637
C    3.2033415783   0.6573969450   0.4888278851
C    0.1536337316   0.2982854854   0.1189469301
C    4.5924577905   1.1102094167   0.0478676623
C    1.3337196227  -1.5667571186   1.1928624409
C   -0.7207966112   0.3451044278   1.1974000202
C    0.0339041613   1.2682738221  -0.8743217594
C    4.6011025476   1.9087862523  -1.2480655330
C   -1.6882808593   1.3350934329   1.2937864990
C   -0.9256651802   2.2624985827  -0.7929169871
C   -1.8470567032  -1.8691513725  -1.1790626118
C   -1.7840176853   2.2875967386   0.2956540030
C   -2.0753730423  -3.5488205908   0.0182226638
H    2.4674056569   0.1257771661  -1.4758754599
H    3.2116210672  -1.1935164142  -0.6120182042
H    1.3546135618  -2.6242228768  -1.2785528389
H    0.5948588619  -1.2625242238  -2.0929865162
H    3.2820675500   0.1922920794   1.4754623115
H    2.5625181211   1.5350152030   0.6133112125
H    5.2466564893   0.2387227378  -0.0517166577
H    5.0225644053   1.7204562364   0.8457949432
H   -0.6698622720  -0.3928434374   1.9877668846
H    0.6880314003   1.2654658636  -1.7371123533
H    3.9305339339   2.7689769329  -1.1876679432
H    4.2925339885   1.3106242993  -2.1070078788
H    5.6000884135   2.2881900077  -1.4675799569
H   -2.3584463999   1.3520181982   2.1422749418
H   -0.9990885702   3.0072242300  -1.5736806724
H   -1.9870695044  -0.9995934926  -1.8025257337
H   -2.5315060929  -4.3484423741   0.5809791190
*