! 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  -5.3523247544  -0.8636888220  -0.0421443336
O    3.1152112029   1.5858725613   0.6008281918
O    2.2641772666  -2.0150051597  -1.8346288939
N    2.5805672771  -0.4380667731  -0.2343360007
N    0.6086920751  -1.7166764464  -0.3120493813
N   -0.8933181135  -2.6662393028   0.9863634382
C    2.0674148633   0.6488661528   0.6636905887
C    3.9910677754  -0.1751757280  -0.6077613363
C    4.3196636942   0.8770284734   0.4466184941
C    0.8170047593   1.3174825787   0.1011242339
C    1.8874930080   0.1817641547   2.1073527686
C    4.8860124467  -1.3936026230  -0.4451792845
C    4.1117397792   0.4274349969  -2.0062287816
C    0.3620448759   2.5474098681   0.8782863405
C    1.8865536131  -1.3934854040  -0.8645184647
C   -0.8919544526   3.1738781373   0.2588884363
C   -2.0409322157   2.2072225055   0.1735161083
C   -0.5784151009  -1.6885133640  -1.0052991155
C    0.3602827043  -2.3384763954   0.8727330190
C   -2.6716489391   1.7503968494   1.3292781179
C   -2.4689155931   1.6996357686  -1.0489950214
C   -1.4919673860  -2.2556623207  -0.1740904459
C   -3.6904799490   0.8129557357   1.2735317762
C   -3.4907450876   0.7641340889  -1.1275556096
C   -4.0904967332   0.3256236257   0.0392840186
H    4.6445952188   0.4139009979   1.3878209939
H    5.0990053172   1.5667583259   0.1218603816
H   -0.0025961231   0.6002803538   0.0952551342
H    1.0062025994   1.5896489295  -0.9423563776
H    2.6723677610  -0.5087880337   2.4163345984
H    0.9279489661  -0.3046977935   2.2686399252
H    1.9252216894   1.0429804391   2.7745428190
H    4.7511498233  -2.1227548261  -1.2409285453
H    4.7155182165  -1.8893844487   0.5118262069
H    5.9295825591  -1.0738023728  -0.4689341126
H    3.7980881004  -0.2696535774  -2.7797370543
H    3.5175552205   1.3373051771  -2.1026828695
H    5.1529605360   0.6895832835  -2.2012471211
H    0.1466859671   2.2798923395   1.9160882419
H    1.1495692474   3.3029191877   0.9074958620
H   -0.6553926361   3.5507323152  -0.7392498653
H   -1.1791038717   4.0421826135   0.8574504177
H   -0.6644657837  -1.2459444841  -1.9829670287
H    1.1404093417  -2.5461502120   1.5880286001
H   -2.3647637046   2.1276290493   2.2979189736
H   -1.9956722384   2.0335755615  -1.9647224526
H   -2.5490034520  -2.3826158414  -0.3449889646
H   -4.1653003530   0.4695771051   2.1828274148
H   -3.8049854407   0.3802203077  -2.0888673469
*