! 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  -5.1170368392   4.7850035529   0.6987442725
O    1.5802316308   1.3351063645   0.1400632631
O    1.1261274787  -2.4934827363   1.6134965664
N    1.9692704215  -0.8798600206   0.2586425075
N    2.5187434524  -3.1403701962  -0.0583572948
N    2.8868915635  -4.6790543481  -1.5881730107
C    1.1667487215   0.2135981717   0.8794918902
C    3.0271944934  -0.3182942280  -0.6231980372
C    2.9323219850   1.1478777862  -0.1883498464
C   -0.3380166502   0.0509353780   0.6824191303
C    1.5072080578   0.4052832329   2.3561842693
C    4.4267322069  -0.8453272963  -0.3397595612
C    2.6875993909  -0.4352064065  -2.1055062742
C   -0.7913679682  -0.1810733470  -0.7509422063
C    1.8160183098  -2.1377612903   0.6812441065
C   -2.3132183086  -0.3112069675  -0.8720349186
C   -3.0435070528   0.9443330839  -0.4853802503
C    3.4545404778  -3.9955627579   0.4695898055
C    2.1976089102  -3.6164370903  -1.2914034526
C   -3.0513993820   2.0479614730  -1.3365707780
C   -3.6962439794   1.0581183804   0.7384181407
C    3.6831185611  -4.9201345034  -0.5014835479
C   -3.6846312632   3.2291386452  -0.9834207690
C   -4.3363021885   2.2318725974   1.1118745372
C   -4.3226724716   3.3112132848   0.2448596333
H    3.5908366189   1.3495377773   0.6661415805
H    3.2032015112   1.8345511470  -0.9903080267
H   -0.7961221281   0.9639131131   1.0742757720
H   -0.6955523716  -0.7576211461   1.3217809948
H    1.1539393040  -0.4210350566   2.9671609658
H    1.0264063506   1.3158093286   2.7161701729
H    2.5811086343   0.5048574042   2.5199922560
H    4.6182809216  -1.8207131306  -0.7826915955
H    4.6313615639  -0.9005635489   0.7302469693
H    5.1521494618  -0.1550486939  -0.7748719908
H    2.7268889847  -1.4616973952  -2.4622555976
H    1.7004947352  -0.0316243955  -2.3298169442
H    3.4175991000   0.1287480071  -2.6880285117
H   -0.4501073780   0.6334382914  -1.3943636689
H   -0.3458050624  -1.0972240838  -1.1471619427
H   -2.6583307850  -1.1448348524  -0.2551940728
H   -2.5565613029  -0.5707896811  -1.9052327654
H    3.8780617395  -3.8546169568   1.4498437367
H    1.4328501004  -3.1632051392  -1.9025514547
H   -2.5568570613   1.9902443636  -2.2993199175
H   -3.7112052458   0.2166227446   1.4208392408
H    4.3789475896  -5.7440208914  -0.4760352488
H   -3.6810835452   4.0727877324  -1.6606441842
H   -4.8378824826   2.2972905960   2.0681165248
*