! 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  -6.1371405819   0.8131184977   0.4298356148
O    2.8613534014   1.4570771755   0.6354391923
O    0.0070601755  -1.5329852066   0.5759066977
N    2.0506077552  -0.6105450971   0.2259474176
N    1.6508069281  -2.8817954622  -0.2198292441
N    1.7273277962  -4.7186932238  -1.4272839203
C    1.6634884598   0.7301700941   0.7624577221
C    3.4103993749  -0.5563473041  -0.3729925520
C    3.5425838655   0.9630554880  -0.4883196086
C    0.5521130124   1.3595931641  -0.0902278470
C    1.3223801081   0.6779067767   2.2412867846
C    4.4783281957  -1.0934996815   0.5756397823
C    3.5378214265  -1.1873375538  -1.7521315580
C    0.2899498612   2.8289038401   0.2180519281
C    1.1673319538  -1.6117326630   0.2306260970
C   -0.8140656390   3.4156533051  -0.6698305226
C   -2.1579477154   2.7874962869  -0.4271270404
C    2.4555220320  -3.7606270285   0.4639962946
C    1.2226980519  -3.5220629138  -1.3388698999
C   -2.9107388473   3.1430668899   0.6907012702
C   -2.6714196502   1.8112725457  -1.2760453214
C    2.4929281741  -4.8828544522  -0.3053045724
C   -4.1318378320   2.5456643046   0.9615513436
C   -3.8914800499   1.1994010208  -1.0228642067
C   -4.6117669881   1.5720376789   0.0991744961
H    4.5805208856   1.2928271763  -0.4490427494
H    3.1052864498   1.3282224996  -1.4267074906
H   -0.3628534598   0.7867808065   0.0549424855
H    0.8089690226   1.2594540280  -1.1499417142
H    1.3161670904   1.6853043650   2.6578785207
H    2.0652214641   0.0977581161   2.7897864307
H    0.3417953928   0.2423287016   2.4183678404
H    4.4083138002  -2.1712651756   0.7044907411
H    4.4225505341  -0.6268624446   1.5595423198
H    5.4675961279  -0.8891384702   0.1635196440
H    3.6624716769  -2.2683450403  -1.7196113575
H    2.6905131381  -0.9461158545  -2.3944390960
H    4.4330320965  -0.7852041707  -2.2308228743
H    0.0049760167   2.9599872282   1.2657516934
H    1.1983223245   3.4157131296   0.0670126204
H   -0.5342440042   3.2998593272  -1.7201147572
H   -0.8762266729   4.4903869878  -0.4831619739
H    2.8766240608  -3.5339631420   1.4281214645
H    0.5642392500  -3.0502887880  -2.0521977109
H   -2.5434274232   3.9056372541   1.3677467627
H   -2.1141607662   1.5134945281  -2.1561617063
H    3.0221421050  -5.8004523893  -0.0999870404
H   -4.6998842571   2.8402896316   1.8337613635
H   -4.2690966783   0.4414856539  -1.6959976910
*