! 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  -1.0761518826   0.9171622971  -3.0820109245
Cl  -2.8941166653   3.5809889783   1.1758939378
F    2.1678666309   0.2311190123   1.5077791709
F    3.6125659911  -1.2635282032   0.9311833323
F    4.6073323202   1.2575654174   0.9518710113
F    3.0875494154   1.9088840621  -0.4758243291
O    2.0791149284  -0.6156964099  -0.5577168403
N   -1.7526094839  -2.8373023660  -0.0181022079
N   -1.0684039973  -3.4528226043   0.9487949616
N   -3.1883859975  -3.1217226092   1.5827611769
C   -0.1300709387  -1.2764770637  -1.1057780601
C   -1.1178955370  -2.4404713215  -1.2506813513
C    1.1267647020  -1.6694092242  -0.3430634644
C   -0.8007277956  -0.0453685601  -0.5485622791
C   -1.2664188148   0.9884004560  -1.3590795334
C   -1.0271328306   0.0859917542   0.8203992126
C    2.8691166993  -0.2352386527   0.4445445952
C   -1.9053149731   2.1070832868  -0.8452023693
C   -1.6698289879   1.1833225915   1.3655644402
C   -3.0127028631  -2.6410521091   0.3747432014
C   -2.0998107979   2.1922394899   0.5214959936
C    3.8177321285   0.8487755254  -0.0661839784
C   -1.9690265587  -3.6035640590   1.8879884045
H    0.1941432399  -1.0770566791  -2.1294002075
H   -1.9067614023  -2.1576757529  -1.9461334400
H   -0.6101180925  -3.3075172781  -1.6742239459
H    0.9441382845  -1.8398895895   0.7173929418
H    1.5359771556  -2.5929042520  -0.7571195046
H   -0.6946172498  -0.6872248471   1.5003633817
H   -2.2434978898   2.8957138981  -1.5028746773
H   -1.8261535048   1.2452549305   2.4334819091
H   -3.7529120872  -2.1581366109  -0.2439096622
H    4.4389553856   0.4931243437  -0.8890872620
H   -1.7368688926  -4.0828620055   2.8264055750
*