! 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  -4.6913957227  -0.3921701903  -0.0500888237
O    1.8452033645  -1.2735409800  -1.1529283057
N    2.8897438314  -0.3914318568  -0.7855465655
N    0.3578889154   2.7931660152  -1.1744886210
C    2.4672156857   0.1358917982   0.5164605610
C    1.8742021162  -1.1117539545   1.1844961683
C    1.1729354430  -1.7803373825   0.0037302262
C    1.3986923044   1.1975039110   0.2870408891
C    3.6169939634   0.7510018257   1.3037144683
C   -0.3034586861  -1.4596270650  -0.0707549996
C    4.1368625977  -1.1334451412  -0.7978734113
C    0.5004767005   1.5455067590   1.2891640991
C    1.2855237329   1.8770553058  -0.9208648155
C   -1.1395686167  -1.8996727064   0.9515797036
C   -0.8576769817  -0.7187836338  -1.1070456812
C   -0.4734764254   2.4946624667   1.0361903834
C   -2.4879322239  -1.5818357318   0.9658856838
C   -2.2049303391  -0.3883598839  -1.1066924151
C   -0.5121246832   3.0824757284  -0.2174998428
C   -3.0089668487  -0.8161610906  -0.0651942797
H    2.6764053985  -1.7421482797   1.5720337695
H    1.2058607610  -0.9032168488   2.0165849126
H    1.2998075115  -2.8679830654   0.0415764269
H    4.3736430109   0.0151640850   1.5756690513
H    3.2349187549   1.1812105093   2.2294331378
H    4.0966282126   1.5546364933   0.7431054282
H    4.2701794763  -1.5656756505  -1.7885863683
H    4.2115337618  -1.9415218440  -0.0604194548
H    4.9628899894  -0.4427068351  -0.6386760189
H    0.5417655116   1.0754743474   2.2639005642
H    1.9722153542   1.6575231276  -1.7289024634
H   -0.7385143035  -2.4949099338   1.7640412594
H   -0.2423538688  -0.3749223280  -1.9255498642
H   -1.1943358499   2.7701295557   1.7938041488
H   -3.1198782754  -1.9253488018   1.7738305996
H   -2.6152981369   0.2022930746  -1.9146143935
H   -1.2697310407   3.8216416452  -0.4536872479
*