! 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   0.2861998376  -0.5720964859  -2.6315780014
Cl   4.5411055229  -1.7648637404   0.3445655830
O   -2.0231379177  -0.6790771916  -0.7699852455
O   -1.7329545194   0.0521054040   1.3397716925
N   -0.3054679318   2.3885024367   0.2230249042
N    0.9087292706   2.6288259234  -0.2770477034
N    0.7077339788   3.5372447204   1.7584817891
C   -1.1969578095   0.0995309543   0.0476713692
C   -3.0567406551  -1.2682697792   0.0161191697
C   -3.0836955069  -0.3593580692   1.2319171035
C   -1.2432945765   1.5486714657  -0.4755726791
C    0.2301660216  -0.4248075048   0.0989437607
C   -4.3473087751  -1.3201085488  -0.7725494289
C   -5.4778075988  -1.9389106367   0.0371478289
C    0.9654208257  -0.7229401100  -1.0460755150
C    0.8788639559  -0.5562571180   1.3230020966
C    2.2851634509  -1.1424287317  -0.9804180410
C    2.1982186870  -0.9649450370   1.4178240331
C   -0.4092761380   2.9285999032   1.4404889481
C    2.8917038146  -1.2559576542   0.2576281694
C    1.4787608978   3.3216929626   0.6740455042
H   -2.7594520806  -2.2836222876   0.3101547938
H   -3.7515156146   0.4990647675   1.0824016839
H   -3.3665069110  -0.8630942465   2.1551636566
H   -2.2508770497   1.9474370407  -0.3468621432
H   -1.0049318998   1.5944399531  -1.5353976803
H   -4.1883459963  -1.9037911124  -1.6822883558
H   -4.6199647381  -0.3084366771  -1.0863309741
H   -6.3861521745  -2.0107601306  -0.5609454878
H   -5.2265002900  -2.9468631957   0.3723395452
H   -5.7216822380  -1.3473101799   0.9217528910
H    0.3504097471  -0.3315204747   2.2377159938
H    2.8303160178  -1.3705906208  -1.8856448817
H    2.6705091085  -1.0516545240   2.3864265311
H   -1.3026471238   2.8635105517   2.0409831147
H    2.4878868957   3.6922473543   0.5809983741
*