! 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  -0.1290211176  -0.5573222874   2.2708481786
Cl   4.1135668028   1.6556748551  -0.0988817221
N   -1.1543722028  -2.1693590996  -0.8038750555
N   -1.6712219784  -2.9922231919   0.1097908876
N    0.4239150331  -3.6000198529  -0.3905824489
C   -1.7390112337   0.1812093956  -0.3075741618
C   -2.6443039345   1.3278228956  -0.7631966582
C   -1.8838165862  -1.0100576885  -1.2618539600
C   -0.2845657033   0.5736145432  -0.2031545866
C   -2.6217374775   2.5297334603   0.1719331295
C    0.5196903876   0.2702553651   0.8924725666
C    0.3375218117   1.2190421011  -1.2718897051
C   -3.5840977169   3.6215306551  -0.2687494452
C    1.8678934958   0.5998598387   0.9394907450
C    1.6780635170   1.5586020498  -1.2607511152
C    0.0973693691  -2.5368167014  -1.0861958595
C    2.4346647134   1.2445141664  -0.1435921297
C   -0.6935332995  -3.8349486190   0.3239775392
H   -2.0971443899  -0.1431771017   0.6714491513
H   -2.3857659623   1.6443431862  -1.7789279469
H   -3.6662804317   0.9412403835  -0.8246838133
H   -1.5229845369  -0.7555809750  -2.2591020262
H   -2.9318494712  -1.2928872646  -1.3551337240
H   -2.8741858289   2.2034463823   1.1854147234
H   -1.6100618898   2.9406595219   0.2279510814
H   -0.2418331228   1.4682215138  -2.1524009304
H   -4.6138646040   3.2598657331  -0.2973003112
H   -3.3375587189   3.9898606658  -1.2666650405
H   -3.5552982699   4.4746869516   0.4104459350
H    2.4620025354   0.3507275289   1.8076341065
H    2.1209647079   2.0595859652  -2.1103350778
H    0.7168119008  -2.0174331644  -1.8010431080
H   -0.7899874491  -4.6537000629   1.0201241897
*