! 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   0.6163595727  -1.5148953023   2.4492469804
Cl   4.4537005996  -1.5855964651  -1.2444524223
O   -1.9232648627   0.2384876316  -0.8424715415
O   -1.9047876342  -1.0832787618   0.9484855615
N   -0.5034539049   2.2683336440   0.6274278823
N   -1.1335671366   3.0990532925  -0.2052370108
N    1.0274215800   3.6595523091  -0.0255435481
C   -1.1974128760  -0.0725348048   0.3053734820
C   -2.7174572829  -0.8881726226  -1.2171487534
C   -2.4631015736  -1.8822987931  -0.0783240629
C   -1.1756417316   1.1491378636   1.2319468782
C    0.2222860015  -0.5083696491  -0.0673907584
C   -4.1647710624  -0.4636498866  -1.3978751193
C   -4.8024749418   0.1863330230  -0.1800485899
C    1.0899718251  -1.1358749843   0.8258239748
C    0.7191796325  -0.2180602266  -1.3347000925
C    2.3882898955  -1.4729796611   0.4727171382
C    2.0102407066  -0.5425082294  -1.7150280968
C    0.7849580972   2.6110184622   0.7208609618
C    2.8360675498  -1.1718995409  -0.8013534023
C   -0.1792921428   3.9150932369  -0.5696670758
H   -2.3454119799  -1.2942296572  -2.1630356807
H   -3.3687782322  -2.3554807284   0.3016887426
H   -1.7691200897  -2.6725727106  -0.3834860085
H   -0.6713282436   0.9080241722   2.1662693601
H   -2.1973747074   1.4425120334   1.4706241595
H   -4.7289843907  -1.3541341572  -1.6892554382
H   -4.2245549817   0.2190414353  -2.2498959309
H   -5.8470015546   0.4244786213  -0.3841010417
H   -4.7894618842  -0.4615353385   0.6981348283
H   -4.3059859598   1.1202832666   0.0843099977
H    0.0840927808   0.2823702442  -2.0520597656
H    3.0379298198  -1.9611189959   1.1860179103
H    2.3604179795  -0.3008360242  -2.7088009276
H    1.4914669895   2.0841731900   1.3438222049
H   -0.3603954322   4.7332082079  -1.2495656892
*