! 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   0.9159731367  -1.3503990077   2.5673024706
Cl   4.1139740245  -1.5645983761  -1.6878517723
O   -2.1592565796   0.1981281659  -0.3470457929
O   -1.8033614667  -1.0190572498   1.4976534236
N   -0.3771300120   2.2763437183   0.7631941842
N   -0.9802732420   3.0041356483  -0.1783727445
N    1.1927292448   3.5319407221  -0.0522181372
C   -1.2429524730  -0.0352152839   0.6692786791
C   -2.8505601597  -1.0271513048  -0.5723209789
C   -2.9192730336  -1.5971736777   0.8365257498
C   -1.0744384094   1.2500984747   1.4923398367
C    0.1013582339  -0.4895611323   0.0989066259
C   -4.1870288392  -0.7594806404  -1.2241302767
C   -4.0686907588  -0.1792931373  -2.6246546356
C    1.1127146316  -1.0588920063   0.8702248943
C    0.3844762928  -0.2540619972  -1.2435620066
C    2.3452379177  -1.3955461354   0.3298097959
C    1.6032720248  -0.5829054492  -1.8108984965
C    0.9191608341   2.5954041887   0.8215917326
C    2.5775758529  -1.1544334763  -1.0123925365
C   -0.0029539420   3.7418834703  -0.6378425454
H   -2.2489538955  -1.6821605311  -1.2181225915
H   -3.8436567810  -1.3077090182   1.3474379858
H   -2.8395746698  -2.6851526805   0.8514914232
H   -0.5096017479   1.0367686995   2.3983478388
H   -2.0543659708   1.6251127605   1.7896031930
H   -4.7741862756  -0.0952177003  -0.5836898162
H   -4.7279475713  -1.7089689961  -1.2646741262
H   -3.5017262862  -0.8407053304  -3.2823968703
H   -5.0542509178  -0.0412903602  -3.0702218241
H   -3.5726393347   0.7917663110  -2.6209135987
H   -0.3654761026   0.2070843555  -1.8709157367
H    3.1112784615  -1.8362691531   0.9526161747
H    1.7854836680  -0.3857596974  -2.8580369338
H    1.6078231601   2.1373862059   1.5146441185
H   -0.1579786543   4.4664243482  -1.4222990929
*