! 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  -1.6097751300  -0.5052031756  -2.1678046398
Cl  -4.7370222247   3.2508680462  -0.0160836889
F    3.2446884003   0.3635056013  -1.4667521959
F    4.1240663120   1.5696840439   0.0933401804
F    4.3488463202  -1.9010006123  -0.3639131938
F    5.2235546136  -0.6911367970   1.2317139375
O    2.6570668496  -0.0123984579   0.6549166141
N   -0.9157426999  -2.1868573031   0.8428788436
N   -2.2057609648  -1.9643305688   1.0982992970
N   -1.9550676713  -3.8540903219  -0.0758350060
C    0.2760680358  -0.0956646436   0.2691356933
C    0.1132694660  -1.2617593271   1.2516001158
C    1.4595883562   0.7810400613   0.6680266148
C   -0.9836116392   0.7294653701   0.1769162034
C   -1.8831610115   0.6226043770  -0.8812719781
C   -1.3130163476   1.6268343514   1.1904583985
C    3.6457823275   0.3260281839  -0.1697373267
C   -3.0369578523   1.3883375091  -0.9528046867
C   -2.4553560971   2.4062432172   1.1504931881
C   -0.7808602710  -3.3129618138   0.1385611331
C   -3.3081142648   2.2819553220   0.0675218240
C    4.8011333835  -0.6666722403  -0.0516118884
C   -2.7905446706  -2.9867649142   0.5280603997
H    0.5035556328  -0.5128692967  -0.7137968889
H    1.0431380300  -1.8240821489   1.3262157277
H   -0.1318658817  -0.8996742110   2.2503880088
H    1.5281728137   1.6369612825  -0.0048874973
H    1.3619160459   1.1666610167   1.6829858794
H   -0.6656007749   1.7292379618   2.0515894674
H   -3.7126787258   1.2836611521  -1.7902391243
H   -2.6718124386   3.0951948212   1.9549483678
H    0.1764048677  -3.6943489776  -0.1817995094
H    5.6333948440  -0.4047714862  -0.7067855340
H   -3.8611246733  -3.1183086390   0.5581297409
*