! 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   4.4099860419  -1.5343707191   0.2014780069
O   -1.8738304834   0.2473916507  -1.2992288212
N   -0.6085458407   2.4206260465   0.2913564385
N   -0.6024259432   2.7802281366  -0.9949725294
N    1.0463321871   3.8097082466   0.1042301753
C   -2.1515476467  -2.2979698268  -0.0592990645
C   -3.1049280268  -3.4416699417   0.1169752218
C   -3.0548085886  -2.6940674999  -1.1811574063
C   -2.2874897275  -0.9855671068   0.6934192220
C   -1.4101554179   0.1002768836   0.0168962191
C   -3.7311665993  -0.5280165906   0.8803157089
C   -1.5547072731   1.4407604406   0.7724771882
C    0.0586056540  -0.3157578761   0.0516923181
C    0.7174797554  -0.4814522905   1.2692009799
C    0.7784771469  -0.5349344931  -1.1163027400
C    2.0499207194  -0.8552556117   1.3262164671
C    2.1151658092  -0.9084664573  -1.0790309497
C    0.3840187498   3.0342652301   0.9327015378
C    2.7419197411  -1.0660805659   0.1440400604
C    0.4067463594   3.6142223596  -1.0614393768
H   -1.1194932250  -2.6104503669  -0.1821584412
H   -3.9793946614  -3.3136025255   0.7428644019
H   -2.6871707466  -4.4402925521   0.1540926702
H   -2.6146829148  -3.1799764581  -2.0432343032
H   -3.8923604856  -2.0520454388  -1.4229015953
H   -1.8691961715  -1.1478867118   1.6933825692
H   -3.8017172661   0.3001779791   1.5854280021
H   -4.3430025624  -1.3265004315   1.3004690544
H   -4.1962783859  -0.2086013557  -0.0524112586
H   -1.3865594134   1.3206181643   1.8415827273
H   -2.5587692906   1.8432587404   0.6392635046
H   -1.5228515452   1.0758513198  -1.6620636003
H    0.1967159893  -0.3253821290   2.2063573074
H    0.3026490032  -0.4289686980  -2.0812459098
H    2.5381237200  -0.9791624521   2.2835337408
H    2.6555282304  -1.0748511132  -2.0013223296
H    0.5781998500   2.8947434923   1.9846291367
H    0.6854634839   4.0988523718  -1.9843145494
*