! 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  -4.1813380308   1.5228771295  -2.7493169285
O    1.5855234091   1.4814816850  -0.3699784232
O    1.9529519423  -1.5537390138   2.4004820715
N    1.6488536727  -0.6513068226   0.3407799610
N    1.8070918293  -2.9761643782   0.6393428634
N    1.2346322027  -5.0886930711   0.4186137790
C    1.7282044014   0.7593774992   0.8268656173
C    1.1415494267  -0.6870698058  -1.0584736229
C    0.6836872540   0.7705040047  -1.1770119900
C    0.5655867748   1.0657494902   1.7842750788
C    3.0837326445   1.1087198343   1.4082473707
C    2.2504527686  -0.9546339350  -2.0716416292
C   -0.0455555754  -1.6124286479  -1.2827532915
C    0.3428557138   2.5589975962   2.0346040575
C    1.8073937722  -1.6610980470   1.2006763448
C   -1.1376666214   2.8919490557   2.2650036274
C   -1.9649869687   2.5885837100   1.0465828484
C    2.7915385928  -3.5664048924  -0.1148784978
C    0.9099140048  -3.9476366924   0.9531255429
C   -2.7820696445   1.4633702250   0.9848937920
C   -1.8653639684   3.3869210774  -0.0916796307
C    2.4132082907  -4.8678215758  -0.2400775622
C   -3.4679602301   1.1268810456  -0.1743613840
C   -2.5459171745   3.0726465384  -1.2571934582
C   -3.3389253462   1.9356036126  -1.2902778577
H    0.7488493705   1.1426053460  -2.1992582765
H   -0.3536826891   0.8932351973  -0.8383200845
H    0.7300514156   0.5533838880   2.7309787570
H   -0.3409486932   0.6242657722   1.3629569219
H    3.8871751218   0.8203466152   0.7297597859
H    3.2494346067   0.6267921378   2.3681079331
H    3.1486687212   2.1861378739   1.5663723505
H    1.8703787100  -0.7827589251  -3.0798059778
H    2.6026259010  -1.9831169209  -2.0384716161
H    3.1038851809  -0.2931646790  -1.9191165223
H   -0.7842417253  -1.5286770575  -0.4843917771
H   -0.5392569046  -1.3221651281  -2.2124418249
H    0.2366466211  -2.6578189707  -1.3936402926
H    0.9181920603   2.8883549320   2.9027133309
H    0.6968610636   3.1530732649   1.1897918681
H   -1.2257140732   3.9503211985   2.5221822592
H   -1.5165676447   2.3297487727   3.1221602398
H    3.6678032304  -3.0362877958  -0.4463017827
H    0.0338581303  -3.7468938062   1.5505425293
H   -2.8842038352   0.8253413203   1.8547225228
H   -1.2407317440   4.2725142358  -0.0766048711
H    2.9325818816  -5.6555281041  -0.7631531146
H   -4.0904764688   0.2425064109  -0.2008255753
H   -2.4535233083   3.7059705432  -2.1294125546
*