! 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   0.0934806775  -0.0900046748  -2.0178489435
Cl  -4.5011744627  -1.7783980754   0.1370975270
O    3.4792288872  -1.0918229622   0.2577972703
N    2.1736847166  -1.4402473024   0.0942678022
N   -0.3486087476   3.3915879254   0.2515721474
C    1.6922906112   0.5135224185   1.5597063187
C    1.3625684926  -0.6892700276   0.7157948255
C   -0.0780635517  -0.9910937746   0.5347698206
C    1.3180312869   1.7544419880   0.7949909106
C   -0.7483892944  -0.7449961169  -0.6604963504
C   -0.8197499534  -1.4754130199   1.6082624451
C    2.1771690461   2.3140052367  -0.1429838388
C    0.0666028026   2.3407870822   0.9461998162
C   -2.1079297745  -0.9847953931  -0.7935410256
C   -2.1757351812  -1.7298609006   1.5021355371
C   -2.8063557453  -1.4794401583   0.2942121866
C    1.7587067154   3.4170067578  -0.8668309232
C    0.4845270959   3.9140546883  -0.6386356444
C    4.3098193591  -1.9792588676  -0.4660613396
H    1.1173098446   0.4623966667   2.4873452800
H    2.7453731381   0.5335760547   1.8344818759
H   -0.3239892646  -1.6653650323   2.5518346986
H    3.1606807287   1.8898568309  -0.3062179923
H   -0.6332071519   1.9383116774   1.6727922195
H   -2.6110278796  -0.7819482836  -1.7286088515
H   -2.7270477076  -2.1146881456   2.3485891487
H    2.4022745141   3.8821630537  -1.6011019600
H    0.1246034567   4.7718172741  -1.1958139422
H    4.2134048104  -3.0081476180  -0.1112770488
H    5.3316814359  -1.6434107629  -0.2977670234
H    4.0998942114  -1.9495808883  -1.5378205332
*