! 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  -0.1093439090  -1.0400444703   2.8899765473
Cl  -4.6192946345  -2.2101447349   0.2515174560
O    3.1054670169  -0.5057816601  -0.6514638814
N    1.8610739990  -1.0371343510  -0.5572219823
N    2.8327668547   3.5310825365  -1.5975451318
C    1.4254036222   0.9814777028   0.7959462746
C    1.0712555413  -0.3374750770   0.1529411231
C   -0.3234416817  -0.8285313240   0.1997678484
C    1.4966956087   2.0591419014  -0.2550417238
C   -0.9728088694  -1.1330629034   1.3936528655
C   -1.0397683875  -0.9921984402  -0.9836541945
C    0.3468749494   2.5522877213  -0.8617239929
C    2.7128860022   2.5927613912  -0.6680103217
C   -2.2908250462  -1.5565009417   1.4251311444
C   -2.3565372976  -1.4192307765  -0.9843127470
C   -2.9724146809  -1.6890003360   0.2263406551
C    0.4603447047   3.5268772299  -1.8393383761
C    1.7258227804   3.9820203181  -2.1743755099
C    3.9203307061  -1.3124030398  -1.4812942045
H    0.6690799180   1.2485417417   1.5330117214
H    2.3748353659   0.9064098352   1.3288309260
H   -0.5578482284  -0.7674232771  -1.9257582093
H   -0.6309880522   2.1869159346  -0.5702807370
H    3.6346748402   2.2477489606  -0.2117493897
H   -2.7706540561  -1.7893611571   2.3655237602
H   -2.8910730874  -1.5321197894  -1.9170927092
H   -0.4145789580   3.9312013882  -2.3298575452
H    1.8498426150   4.7434502876  -2.9363132895
H    4.8969615735  -0.8325605451  -1.5057981801
H    3.5288223538  -1.3694684993  -2.4994403653
H    4.0317741038  -2.3232641426  -1.0823910391
*