! 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  -2.6464415799   1.3066683071   1.5706477404
F    5.0034265350  -1.4772577567  -1.6025984714
O    0.3280710574   0.3906930564   1.9867324995
N   -2.6301896329  -2.1791271015  -0.6835173994
N   -1.7055816553  -3.1217307406   1.2703045776
C    0.0789346332   0.1304501726   0.6279069059
C    1.4147913155  -0.3157716093   0.0348872008
C   -0.4451841397   1.4013220561  -0.0601175859
C   -0.9037171423  -1.0256146411   0.4794606484
C    2.6126018411  -0.0481486588   0.6890112169
C    1.4615707405  -0.9796063866  -1.1890523090
C   -1.6538967484   1.9955853235   0.3146212215
C    0.2794415527   2.0488089686  -1.0574135098
C   -1.8176861238  -1.1380805123  -0.5571027576
C   -0.8916831941  -2.0818306948   1.3811439193
C    3.8276247357  -0.4416948471   0.1436331892
C    2.6649259008  -1.3681640483  -1.7536534230
C   -2.1288566764   3.1520985186  -0.2806818290
C   -0.1766868470   3.2111708502  -1.6618000434
C    3.8336279202  -1.0948426947  -1.0704321058
C   -1.3856580365   3.7634578375  -1.2775778426
C   -2.5370892931  -3.1197533267   0.2404560225
H    2.6260465168   0.4721483387   1.6353834820
H    0.5540557180  -1.2023244648  -1.7344479197
H    1.2277563978   1.6435491532  -1.3790330167
H   -0.4925067111   0.6247327719   2.4343314403
H   -1.9033024264  -0.3686624134  -1.3177417286
H   -0.2076580182  -2.0927284717   2.2221186854
H    4.7542002469  -0.2383487357   0.6643330583
H    2.6875860929  -1.8810732470  -2.7060730148
H   -3.0719564156   3.5762757780   0.0359937164
H    0.4196450438   3.6798043461  -2.4329055977
H   -1.7549851215   4.6674817463  -1.7426344915
H   -3.2052960251  -3.9676745146   0.1479265821
*