! 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  -2.6702674462   0.3890484574  -2.7063809074
Cl  -2.5873543049   5.0384006311  -0.0873413098
F    2.8705567338  -2.0847825677   0.4305199034
F    3.5166492378  -0.5482204764  -0.9408698489
F    2.7907972331  -0.2029037300   2.4750986806
F    3.5593609104   1.2907135136   1.0780990768
O    1.5522254111  -0.3145186702   0.0928619904
N   -0.6275550678  -2.8145690757   0.7219441107
N   -1.0713690713  -3.6342778981  -0.2324443321
N    0.3133473948  -4.7204100750   1.1504159221
C   -0.7320505859  -0.6922736728  -0.5306657891
C   -1.0427734041  -1.4326321479   0.7744040994
C    0.7215866742  -0.8170326984  -0.9609469548
C   -1.1956127468   0.7426002884  -0.4381526321
C   -2.0704106533   1.3101523707  -1.3645574317
C   -0.7617796058   1.5700416043   0.5984242460
C    2.8064612031  -0.7467418693   0.1971832650
C   -2.5044298512   2.6244467985  -1.2693345448
C   -1.1733762192   2.8855801130   0.7187159092
C    0.1967017517  -3.4731476794   1.5385476572
C   -2.0489475561   3.4019175470  -0.2207746217
C    3.5153609539  -0.0324068609   1.3466078941
C   -0.4821485893  -4.7647114316   0.0649960452
H   -1.2944183463  -1.1929706172  -1.3203842765
H   -0.5456663181  -0.9846034780   1.6326778189
H   -2.1155633602  -1.3923237499   0.9652418922
H    0.9504075327  -1.8610871870  -1.1835299659
H    0.8920244753  -0.2380657545  -1.8705793062
H   -0.0787775514   1.1890619240   1.3449510545
H   -3.1867391322   3.0298404909  -2.0033497490
H   -0.8127295027   3.4935365661   1.5366660259
H    0.6757793394  -3.0120691727   2.3879594581
H    4.5278422525  -0.4085321350   1.5010201240
H   -0.6293062029  -5.6553588557  -0.5261901454
*