! 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  -5.0492092416   1.5734916515   0.4829525824
F   -2.6265440022  -2.6484625550  -1.2203038314
F   -0.6256239300  -1.9646570827  -1.5975119198
F   -1.0856198407  -2.9957729530   0.2331203620
O    2.3224144058   1.5631985063  -1.1690341415
N    2.6261882524  -0.8757351478   0.3829384536
N    0.4137808987  -0.6233262082   0.8169248928
N    4.1054351810  -2.0808176296   1.4899667359
C    1.3864838582  -0.3108030763   0.0757680145
C    1.3307966228   0.5849270942  -1.1462403413
C    2.1684686332   2.5779551850  -0.1935276294
C   -0.8590983672  -0.0865459825   0.6737003221
C    3.2400678090   3.6253770527  -0.4031705297
C   -1.8736309568  -0.7886220136   0.0120510095
C   -1.1729108864   1.1256498662   1.2842803638
C   -3.1609846337  -0.2728107981  -0.0485953816
C    3.7984282010  -0.8338188974  -0.3501381597
C    3.1637293569   4.3167294205  -1.7561233638
C    2.8848450201  -1.6500800840   1.4837035543
C   -1.5575974063  -2.0997667522  -0.6391908754
C   -2.4542235108   1.6422068776   1.2263078428
C   -3.4417878511   0.9387701366   0.5570627061
C    4.6863240236  -1.5797875475   0.3494098499
H    0.3286563628   1.0228123449  -1.2146934263
H    1.4661487777  -0.0379292410  -2.0348875161
H    2.2534790405   2.1626835666   0.8200929056
H    1.1716633666   3.0333461212  -0.2765530790
H    3.1311825325   4.3623032847   0.3963858369
H    4.2241562459   3.1688314170  -0.2653812913
H   -0.4037760669   1.6637974396   1.8224656662
H   -3.9472429595  -0.8059405603  -0.5641859929
H    3.9052841247  -0.2952478811  -1.2735933403
H    2.1925197553   4.7935844482  -1.9042222112
H    3.9247690011   5.0935800209  -1.8385053135
H    3.3202473691   3.6205735124  -2.5803856449
H    2.1327860869  -1.8486970895   2.2293743739
H   -2.6745792612   2.5869666247   1.7042194002
H    5.7147354990  -1.7844116162   0.0967977124
*