! 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   3.9920486464   3.2901062623   1.2688809858
O   -2.6387582649  -0.7144643996  -1.2757626102
N   -0.9620650618   1.0976320613   0.3585264213
N   -1.4360927154   1.7013385990  -0.7345504687
N   -0.3238496230   3.1667526736   0.5276850769
C   -1.5220232224  -1.1721301195  -0.5437560826
C   -1.8159180815  -2.6375921048  -0.1185935901
C   -0.3061386275  -1.3027920641  -1.4990794762
C   -1.2835798822  -3.5009113669  -1.2930756786
C   -0.7048672436  -2.5270728971  -2.3211263791
C   -3.2718871085  -2.9971864771   0.2294507390
C   -1.2772264556  -0.2854772407   0.6815503120
C    1.0497862796  -1.5420453273  -0.8146724819
C   -3.3309360543  -4.4428849052   0.7242968860
C   -3.9373708955  -2.1027004345   1.2706296804
C    1.7636826153  -0.3256276181  -0.2865582673
C   -0.3039323220   1.9853527383   1.1024481717
C    1.9614960998   0.7980076076  -1.0878802252
C    2.2898741754  -0.3068637650   1.0015406350
C    2.6420951898   1.9089324083  -0.6194648013
C    2.9825304909   0.7940668434   1.4878157980
C   -1.0261203284   2.9386203739  -0.5941636377
C    3.1475506288   1.8984720258   0.6710402528
H   -1.2129746774  -2.8457051641   0.7742023947
H   -0.2286211630  -0.4156091193  -2.1337347022
H   -2.0728060971  -4.1112324851  -1.7348172116
H   -0.5195963445  -4.1971169364  -0.9422468063
H    0.1350579505  -2.9464619779  -2.8784711134
H   -1.4647110345  -2.2525835995  -3.0540415334
H   -3.8614277743  -2.9330913303  -0.6911162073
H   -0.4533641825  -0.6721405721   1.2801812665
H   -2.1584707983  -0.2835138857   1.3213507715
H    1.7057716345  -2.0081918469  -1.5568846236
H    0.9570715795  -2.2801029507  -0.0127594108
H   -2.4669889861   0.2122333125  -1.5064095771
H   -2.9180182441  -5.1541718877   0.0079112309
H   -2.7764322841  -4.5604389182   1.6592139393
H   -4.3621549979  -4.7454206755   0.9173358850
H   -4.9287508994  -2.4895603161   1.5170437432
H   -4.0779091576  -1.0816745281   0.9197305847
H   -3.3686956799  -2.0724132625   2.2037608369
H    0.1679907170   1.7314317746   2.0380868819
H    1.5804127664   0.8185162351  -2.1013569947
H    2.1622619230  -1.1679603345   1.6472919828
H    2.7734469745   2.7733155728  -1.2561924928
H    3.3807255528   0.7853182425   2.4937312996
H   -1.2427203056   3.6970768142  -1.3307564498
*