! 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  -0.1250973553   0.2795777435   1.9874129183
Cl  -4.5202271804  -2.0728781029   0.0547177217
O    3.3849794894  -0.8805516799   0.1086317848
N    2.0919882811  -1.2649264255   0.2846183030
N   -0.1029677676   3.4389481836  -0.6936190163
C    1.6420835874   0.2419575897  -1.6347548284
C    1.2908350151  -0.7425137936  -0.5485822083
C   -0.1415157051  -1.0737999142  -0.3670092851
C    1.4247802632   1.6349196289  -1.1054777679
C   -0.8693942154  -0.6645050747   0.7483911742
C   -0.8160357030  -1.7808618265  -1.3590449672
C    2.4338282813   2.3390654947  -0.4597166593
C    0.1752087278   2.2413787971  -1.1900188381
C   -2.2161089321  -0.9668096469   0.8867448218
C   -2.1568952914  -2.1011531193  -1.2434461920
C   -2.8438125182  -1.6897493733  -0.1127356920
C    2.1565394508   3.5945797361   0.0548069161
C    0.8723970088   4.0988081722  -0.0815180180
C    4.2015101809  -1.4692961123   1.1022911588
H    2.6714730686   0.1122831733  -1.9666238898
H    0.9974556447   0.0673673994  -2.4977764216
H   -0.2772831206  -2.0992087971  -2.2426467013
H    3.4246504319   1.9129696712  -0.3619000878
H   -0.6405188308   1.7280276420  -1.6910505557
H   -2.7638287375  -0.6372955133   1.7588364672
H   -2.6541160203  -2.6605672286  -2.0236052773
H    2.9198671808   4.1746769624   0.5556035517
H    0.6231528013   5.0779540347   0.3125663580
H    4.1835141417  -2.5604365297   1.0514689578
H    3.9092393258  -1.1536278920   2.1065762978
H    5.2156224163  -1.1248508053   0.9064027334
*