! 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  -1.3592954186   2.7509767012   0.6007092203
Cl  -5.4498479178  -0.6548094262  -0.0191269836
O    3.3967984179  -0.4934171317  -1.8016161357
N    1.2489959728  -1.1834088314   0.1387519765
N    1.9116074986  -2.2884399240  -0.2326312025
N    0.7425858802  -2.6754768384   1.6303891121
C    3.6699956356   0.8893878116   0.2293972551
C    2.7776896515   0.4539072183  -0.9634014429
C    2.9241345299   1.9372169441   1.0550924081
C    4.9312538935   1.5290323763  -0.3587234626
C    4.0969344164  -0.2673290691   1.1351297482
C    1.3756704590   0.0229448945  -0.5896026362
C    0.2998344906   0.7424088285  -0.9018646173
C   -1.1024695200   0.3768127355  -0.6595410254
C    0.5580667705  -1.4338424655   1.2605255677
C   -1.9688885097   1.2507010322  -0.0056113942
C   -1.6286702247  -0.8327936189  -1.1116267588
C    1.5756977164  -3.1563351170   0.6860213372
C   -3.3047275809   0.9490523419   0.2000768483
C   -2.9580450633  -1.1628644069  -0.9179364090
C   -3.7856282839  -0.2639164955  -0.2633815079
H    2.6446041115   1.3503543432  -1.5775983954
H    3.5780965164   2.3472611252   1.8273991523
H    2.5822455172   2.7742966139   0.4408766120
H    2.0491377005   1.5259274522   1.5620698462
H    5.5640563446   1.9256327766   0.4379777697
H    4.6895434978   2.3591098478  -1.0272938187
H    5.5277010696   0.8108269277  -0.9225760502
H    4.8242446919   0.0915202324   1.8669332890
H    4.5821712033  -1.0720807869   0.5801434332
H    3.2733577149  -0.6956990841   1.7073517359
H    0.4752676110   1.6962410028  -1.3866755723
H    3.2935326345  -1.3724572002  -1.4093956203
H   -0.0369669442  -0.6913935392   1.7686926800
H   -0.9878983133  -1.5269613754  -1.6399065248
H    1.9436740750  -4.1701558133   0.6744231508
H   -3.9532248445   1.6451775063   0.7136230464
H   -3.3427743612  -2.1053638226  -1.2820522723
*