! 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   0.5080749336  -0.2521102670   2.0584762925
Cl  -7.6151626449  -0.8694485282   0.8358684403
O    3.1982381704  -0.2009860097   0.8538701165
O    3.4652499994   0.4775474281  -1.2685176603
O   -2.4550519419  -1.4609670193  -1.8665946114
N    3.7026805187   2.5593947655   0.6685233522
N    4.4975956952   3.1640728995  -0.2174939899
N    5.4830916364   3.0835708179   1.7919363017
C    2.5981200928   0.5298155323  -0.1697521583
C    4.1748272576  -1.0694073618   0.2896183329
C    2.4393462172   1.9870300433   0.2874563651
C    4.6182898447  -0.2746497926  -0.9295022282
C    1.2329831984  -0.0229705742  -0.5710254198
C    3.6114649543  -2.4386682273  -0.0337496433
C    0.2500869103  -0.3826515601   0.3482479096
C    0.9046112713  -0.1446914104  -1.9194356560
C   -0.9924845936  -0.8590582430  -0.0448341795
C   -0.3304755156  -0.6003447995  -2.3404347055
C   -1.2803646886  -0.9620217750  -1.3975411000
C    4.3070331615   2.5085193001   1.8585855561
C    5.5503701198   3.4620091912   0.4996009856
C   -3.6238600937  -1.2925650362  -1.1775167384
C   -4.4791007194  -2.3815906655  -1.1082526486
C   -3.9920537381  -0.0702810434  -0.6303320245
C   -5.7143867410  -2.2518307403  -0.4934618978
C   -5.2215163457   0.0562716067  -0.0035366123
C   -6.0750830748  -1.0341282220   0.0602729162
H    4.9793688899  -1.1631702433   1.0211135380
H    1.7583044679   2.0521512428   1.1351847633
H    2.0182591968   2.5847576487  -0.5198534553
H    5.4583444522   0.3894757805  -0.7047412396
H    4.8964692497  -0.9056557469  -1.7753105549
H    2.8803192073  -2.4086389135  -0.8432618178
H    3.1332000369  -2.8787009733   0.8418718438
H    4.4186920762  -3.1052658355  -0.3405513327
H    1.6309708693   0.1303344991  -2.6705522910
H   -1.7150856678  -1.1510183568   0.7056962836
H   -0.5537198455  -0.6795155411  -3.3961940055
H    3.8538695915   2.0632307622   2.7302258559
H    6.3973093015   3.9807400947   0.0774064179
H   -4.1870363342  -3.3297151338  -1.5403628578
H   -3.3398141591   0.7912684940  -0.6927556585
H   -6.3820191306  -3.1011356695  -0.4448779670
H   -5.5094265563   1.0084749077   0.4205621924
*