! 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   5.3063150118   2.5704252660  -0.1699768821
O   -2.5436079382  -0.6340710752   1.8742594468
N   -1.2085343369  -2.5646754389   0.2585356797
N   -0.1986721576  -2.8659084220  -0.5632032687
N    0.0734007272  -3.8927918500   1.4040580885
C   -2.3362443374  -0.3454091926   0.4987092751
C   -3.5596822837   0.4894996153  -0.0246672144
C   -0.9646408009   0.3546465783   0.3793129507
C   -2.3126041244  -1.7283726535  -0.1692442639
C   -4.8501428862  -0.3383507472   0.0602500416
C   -3.7563746073   1.7340004132   0.8493090945
C   -3.4018774888   0.9575506567  -1.4745346280
C   -0.2769600098   0.4633581202  -0.9880437116
C    1.1221724269   0.9879832469  -0.8191055562
C   -1.0337936327  -3.1874869353   1.4269475817
C    1.3935108420   2.3502109727  -0.9085471878
C    2.1755739766   0.1262708788  -0.5229517533
C    0.5455759486  -3.6594855436   0.1652211554
C    2.6741666114   2.8464518208  -0.7114723362
C    3.4622813281   0.6013818016  -0.3216939074
C    3.7002009078   1.9635885754  -0.4171042322
H   -0.2844778696  -0.1879725246   1.0430778790
H   -1.0387771174   1.3581515601   0.8100754631
H   -3.2321268780  -2.2652857762   0.0587758524
H   -2.2474664559  -1.6509638890  -1.2518260922
H   -5.7121622303   0.3090086208  -0.1138100564
H   -4.9854007439  -0.7995771035   1.0392091142
H   -4.8980367339  -1.1248625630  -0.6952202702
H   -4.5600830188   2.3472029593   0.4368583348
H   -2.8700030011   2.3696935567   0.8918494089
H   -4.0463927863   1.4874218367   1.8719654111
H   -4.3605951278   1.3311753653  -1.8407007415
H   -2.6946391413   1.7804740139  -1.5743520688
H   -3.0934096098   0.1625273370  -2.1559857978
H   -0.8226082215   1.1258811860  -1.6559947990
H   -0.2363240686  -0.5118012850  -1.4741925944
H   -2.3011689515   0.1358530185   2.3993887537
H   -1.7272213949  -3.1113725003   2.2478422470
H    0.5942313790   3.0444944250  -1.1402049539
H    1.9927038793  -0.9394546055  -0.4534871283
H    1.4581953663  -4.0913985914  -0.2158300641
H    2.8647714305   3.9084488196  -0.7893882558
H    4.2673364255  -0.0851614682  -0.0963189051
*