! 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   0.1012608265  -0.9681107624   2.8456735843
Cl  -4.4744607072  -1.2543611655   0.0786000365
O    3.4979690958  -1.2719591857  -0.4594854330
N    2.1665118694  -1.5341096645  -0.3730682393
N    1.4193380128   3.0552350925  -2.3538494572
C    1.9775299909   0.7630001036   0.5718692539
C    1.4809756416  -0.5892350373   0.1261766901
C    0.0147308914  -0.8163971058   0.1433806409
C    1.3634027129   1.8319600363  -0.2909175634
C   -0.7157631874  -0.9435175898   1.3202360879
C   -0.6851284177  -0.8510557833  -1.0590210668
C    0.1909278702   2.4852964442   0.0664186041
C    1.9295411145   2.1613619118  -1.5181348851
C   -2.0946059147  -1.0812040369   1.3162378967
C   -2.0613992002  -0.9912303614  -1.0962483276
C   -2.7539835693  -1.0961828791   0.0985472180
C   -0.3530967246   3.4202211982  -0.7988163123
C    0.2966900446   3.6680614655  -1.9974480714
C    4.1738539274  -2.3896416566  -1.0049515070
H    1.6971695520   0.9256751872   1.6140651412
H    3.0639115487   0.8134837378   0.5279583757
H   -0.1401307082  -0.7510183468  -1.9883669135
H   -0.2922996155   2.2706426744   1.0122663132
H    2.8455778997   1.6715067272  -1.8359420612
H   -2.6397035992  -1.1810202365   2.2445109339
H   -2.5816505366  -1.0086633066  -2.0436403122
H   -1.2639141376   3.9479687860  -0.5509087966
H   -0.1037111840   4.3937032957  -2.6964469360
H    3.8197386012  -2.6268994792  -2.0108288638
H    4.0726631328  -3.2741124794  -0.3717690798
H    5.2252259762  -2.1124426156  -1.0576141744
*