! 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  -5.3840981411  -0.7538897381   0.5061931168
O    3.4791102088   0.8634746763   0.4673588614
O    0.3950099998  -0.6169215189  -0.4358858247
N    1.0714863152   1.6015064061  -0.4439439430
N    1.0934864381   1.7706832936  -1.7664038317
N    0.8972366042   3.7420176525  -0.7215858780
C    3.0859544469  -1.5560658179   0.5023926319
C    2.7143246492  -0.1754869936  -0.0988298147
C    1.2718196297   0.2912756758   0.1424937112
C    4.6131931728  -1.6881485999   0.4335779101
C    2.6434866089  -1.6748881303   1.9596645766
C    2.4950740431  -2.7057503942  -0.3181541197
C    0.9642482649   2.7834754675   0.1676371042
C   -0.9340369599  -0.5708130638  -0.1657871445
C    0.9798135295   3.0669294177  -1.8863316365
C   -1.5261841877   0.2467129697   0.7884485389
C   -1.7222641190  -1.4422576440  -0.9128531799
C   -2.8990877572   0.1868615035   0.9930679566
C   -3.0873043073  -1.5030726274  -0.7070628269
C   -3.6720118530  -0.6840057943   0.2481614067
H    2.8719971056  -0.2273303704  -1.1854951289
H    1.1043687321   0.4075713740   1.2196975788
H    4.9893511950  -1.5314756281  -0.5813469213
H    5.1272504485  -0.9924903972   1.0977360358
H    4.9142049775  -2.6939028798   0.7324790605
H    3.0356232431  -2.5938456822   2.4004196293
H    1.5571202927  -1.7184786101   2.0651641687
H    3.0098452593  -0.8450065107   2.5672900916
H    1.4134365796  -2.7832702191  -0.2365484555
H    2.9107725800  -3.6551048986   0.0267037992
H    2.7444867545  -2.6121859776  -1.3780311404
H    4.3242715865   0.9137912228   0.0130336965
H    0.9383357534   2.8935387062   1.2407063246
H    0.9517685418   3.5481960696  -2.8516149970
H   -0.9594217117   0.9369429935   1.3968832278
H   -1.2620407793  -2.0773372614  -1.6588904528
H   -3.3502332064   0.8273187349   1.7385618561
H   -3.6869845201  -2.1865706430  -1.2924704713
*