! 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   0.6604254284  -1.4815274750   2.4252720805
Cl   4.3862643259  -1.6485805071  -1.3769292643
O   -1.9038735048   0.3807484340  -0.7855879661
O   -1.8866342340  -0.9762933080   0.9948610186
N   -0.3742461164   2.3313021147   0.7010668541
N   -0.9712451477   3.1802243828  -0.1379928069
N    1.2071555057   3.6662604238   0.0497993233
C   -1.1674467156   0.0255303259   0.3483776377
C   -2.9725734074  -0.5470755846  -0.9799831868
C   -2.6008272922  -1.6664848743  -0.0161389340
C   -1.0835075002   1.2305642655   1.2978619297
C    0.2261507915  -0.4448848821  -0.0725968216
C   -4.3078658171   0.1193768345  -0.6887905719
C   -5.4910468568  -0.7490621254  -1.0876651758
C    1.0997384836  -1.1035617565   0.7919632229
C    0.6946372459  -0.1640763022  -1.3529092281
C    2.3757967809  -1.4802707103   0.3997452383
C    1.9643066686  -0.5251683032  -1.7707654529
C    0.9246101216   2.6301705752   0.7999984262
C    2.7959559426  -1.1863100449  -0.8851391167
C    0.0125726564   3.9612874398  -0.5010571278
H   -2.9470473491  -0.8905493265  -2.0185456203
H   -3.4551514063  -2.1641391978   0.4423087616
H   -1.9747035314  -2.4270278906  -0.4959546548
H   -0.5782068837   0.9585801364   2.2231722582
H   -2.0904596445   1.5603554265   1.5520257669
H   -4.3493153883   1.0642888113  -1.2365539043
H   -4.3703967965   0.3711514213   0.3747169549
H   -6.4320293428  -0.2369988657  -0.8855438584
H   -5.4706606410  -0.9878908922  -2.1528921491
H   -5.5148443302  -1.6926367283  -0.5391166403
H    0.0542950286   0.3556641137  -2.0510671300
H    3.0289889735  -1.9943518060   1.0912951312
H    2.2931931791  -0.2896115213  -2.7732914560
H    1.6092484643   2.0807373724   1.4278567881
H   -0.1373821995   4.7822746351  -1.1851562586
*