! 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   0.7554810914   0.5937097116   2.4136373825
Cl  -7.1700314766   1.9875100286   0.4250860313
O    3.9278015560   0.1757266632  -0.7746496682
O    3.3325917527   1.3362252658   1.0385116455
O   -2.2572081909  -0.5503945609  -1.4961368612
N    3.0945450024  -2.2781779401   0.6587465644
N    1.9494224775  -2.8691068280   1.0059995624
N    2.9436794710  -4.0013746847  -0.6489167701
C    3.0798146951   0.1576634752   0.3412419245
C    4.4010972584   1.5076663221  -0.9949864151
C    3.4857272026  -1.0195024754   1.2384212415
C    3.6326669322   2.3085209416   0.0539552427
C    1.6267003244   0.0476954496  -0.1180402459
C    5.9041670387   1.5556176637  -0.8301685499
C    0.5391537643   0.1992850949   0.7390485280
C    1.3394286733  -0.2877619324  -1.4381888290
C   -0.7697109310   0.0269571699   0.3156824008
C    0.0449051290  -0.4533930554  -1.8944975020
C   -1.0114472114  -0.3012561910  -1.0108569432
C    3.6742026419  -2.9593116106  -0.3332472567
C    1.9025018684  -3.8979389003   0.2008438920
C   -3.3615430426   0.0743411818  -0.9893921756
C   -4.4958789452  -0.7018776398  -0.8056514765
C   -3.3932023753   1.4401139082  -0.7392384125
C   -5.6740527041  -0.1127721150  -0.3756404576
C   -4.5677806968   2.0275235303  -0.2965270577
C   -5.7005419338   1.2484538135  -0.1186714776
H    4.1258531853   1.8184847483  -2.0062918810
H    3.0182416198  -0.9469933598   2.2171229935
H    4.5667045858  -1.0049081907   1.3783235061
H    4.2212110483   3.1024254905   0.5134825904
H    2.7184650583   2.7488330883  -0.3591248743
H    6.2760577849   2.5510217092  -1.0770255725
H    6.2056193350   1.3272561492   0.1939687380
H    6.3955938500   0.8472723014  -1.4984176214
H    2.1496949564  -0.4240274521  -2.1397609165
H   -1.5810136118   0.1359704491   1.0233541102
H   -0.1427428934  -0.7107821175  -2.9288651617
H    4.6121959631  -2.6681184875  -0.7786727232
H    1.0869210185  -4.6038189126   0.2277304437
H   -4.4643602811  -1.7647119884  -1.0072811865
H   -2.5186793793   2.0590533701  -0.8940587345
H   -6.5587197342  -0.7194842973  -0.2387963437
H   -4.5934886351   3.0913629512  -0.1038035185
*