! 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   2.4215963876   0.2655045306  -2.8289948126
Cl  -7.0037725566  -0.6940185406   1.0790351956
O    4.1244981989   0.7300168946  -0.4562334416
O    3.3193694056   0.3419929080   1.5912493319
O   -2.1551189344   1.5644606042  -1.3073256364
N    2.1969403312  -2.1912651831   0.6124468314
N    1.1521469825  -2.5794609201  -0.1221295830
N    0.8409476288  -3.1194671129   2.0277316834
C    3.1104131681   0.0649912833   0.2398162899
C    4.7310339808   1.7069528083   0.3933091223
C    3.2836421584  -1.4451511888   0.0318311965
C    3.8608091851   1.6511850925   1.6457939359
C    1.7205408768   0.5208897759  -0.1981714573
C    6.1819089791   1.3545511466   0.6390322652
C    1.3272791182   0.6116378907  -1.5304240432
C    0.7491224614   0.7814662781   0.7646319663
C    0.0313783809   0.9447797107  -1.8915758836
C   -0.5486622621   1.1265121918   0.4345128070
C   -0.9037504633   1.2004244273  -0.9034498162
C    1.9953421124  -2.5131893317   1.8935600156
C    0.3678235196  -3.1334025017   0.7653880705
C   -3.2483622956   1.0045585259  -0.7095717349
C   -4.3778125138   1.8014792927  -0.5897684725
C   -3.2725797456  -0.3179076674  -0.2845080153
C   -5.5387442786   1.2773699660  -0.0450620269
C   -4.4307069001  -0.8386975849   0.2706256471
C   -5.5563381440  -0.0389706533   0.3878026212
H    4.6591251389   2.6841358317  -0.0908085695
H    4.2237811926  -1.7649717793   0.4822272577
H    3.3201229166  -1.6839498951  -1.0282779423
H    4.4223675162   1.7573067346   2.5736589937
H    3.0719141814   2.4106702684   1.6285556373
H    6.6636822653   2.1390183647   1.2242580773
H    6.2806639523   0.4157431538   1.1877269715
H    6.7297424875   1.2628321725  -0.2995827997
H    1.0076193588   0.7143581663   1.8121003639
H   -0.2539422749   1.0017344216  -2.9337425250
H   -1.2661606166   1.3311359384   1.2185034195
H    2.7065077934  -2.2977138428   2.6751967655
H   -0.5799503433  -3.5713615155   0.4924961247
H   -4.3543264329   2.8298983008  -0.9261880283
H   -2.4028505401  -0.9547462389  -0.3848368782
H   -6.4178763407   1.9007763208   0.0445720200
H   -4.4481214471  -1.8681796382   0.6014325100
*