! 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   0.3383587372  -1.1243897963   2.3960740132
Cl   0.9520430359  -5.3531358567  -0.7822857443
O   -0.6812762017   1.0104463190   0.6358534724
O    0.0728936986   1.1811919228  -1.4705801674
N    1.5846119083   2.6653872956   0.4320131420
N    1.9387627279   3.4780531420  -0.5664561067
N    1.0891078610   4.6558405114   1.1370930430
C    0.3591732939   0.6387237599  -0.2134875717
C   -1.7976126739   1.4280808397  -0.1425407818
C   -1.1146156743   1.9533277198  -1.3967007507
C   -2.7789376851   0.2915539490  -0.3948593602
C    1.6737680329   1.2348368366   0.3135013522
C    0.4964874586  -0.8772575639  -0.3281682850
C   -4.1144660785   0.7660494939  -0.9651801142
C    0.4988317265  -1.7247359932   0.7788206758
C    0.6560674435  -1.4662454011  -1.5791793801
C   -4.9542809663   1.5772510600   0.0121079103
C    0.6361059782  -3.0989411615   0.6486050251
C    0.7969229617  -2.8342184987  -1.7380146105
C    1.0733070542   3.3804080983   1.4374719749
C    0.7816632229  -3.6419988846  -0.6151624253
C    1.6275624790   4.6591727042  -0.0985620008
H   -2.2802528427   2.2335794184   0.4139795815
H   -1.6946130028   1.7954724474  -2.3072914023
H   -0.8788828584   3.0191210754  -1.3238965591
H   -2.9542785139  -0.2355149274   0.5476826127
H   -2.3314431161  -0.4362405408  -1.0791632831
H    2.4884578250   0.9965175810  -0.3680946719
H    1.9261178466   0.8180242029   1.2867719612
H   -4.6836504814  -0.1127080250  -1.2764990927
H   -3.9496821374   1.3468706596  -1.8782094021
H    0.6683729983  -0.8452416786  -2.4632895026
H   -5.9225144886   1.8301436461  -0.4224096479
H   -5.1441265146   1.0164435362   0.9295826415
H   -4.4792314196   2.5177126896   0.2959448526
H    0.6269013891  -3.7325869811   1.5246202613
H    0.9146573489  -3.2566425508  -2.7261405700
H    0.7191841702   2.9372578076   2.3542181758
H    1.8001508140   5.5600134032  -0.6667222877
*