! 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  -2.6682630337  -2.8444957733   0.0876634340
Cl  -5.1651739112  -1.3851315721   0.2382433365
F    2.2847070197  -1.1888644556   2.4797872668
F    3.2299580693   0.7653880235   2.6556599121
O    1.3924507552   0.5281949603  -1.7572083188
N    1.1898799894   1.0419227229   0.4380744500
N    5.0520656104  -1.0909587054  -0.8098594079
N    4.9651412141  -1.1355749549   0.5112734419
C   -1.4532226298  -0.0406524089  -1.0409740877
C   -3.4140178949   1.1108422502  -0.9182976222
C   -1.7072966404   0.4116536792  -2.5055868467
C   -3.0412413076   1.1963117719  -2.4210323937
C   -2.8841192273  -0.2680989153  -0.6134479424
C   -1.1750288473   1.2098337653  -0.2373700505
C   -2.3832905454   1.9151405468  -0.1647955564
C   -0.0446593172   1.7114379584   0.3877692583
C   -2.4957867146   3.1103480282   0.5121652447
C   -3.4873515423  -1.3472543593  -0.1599750754
C   -0.1590789353   2.9182050912   1.0885360944
C   -1.3598946874   3.6032693052   1.1516586677
C    1.8361662114   0.4968136182  -0.6212190456
C    3.1319408216  -0.1503497624  -0.3484871858
C    3.8155570432  -0.5721815759   0.8173626421
C    3.9837473458  -0.5191388683  -1.3702916289
C    3.4501851297  -0.5273099920   2.2539725736
C    6.2052650719  -1.6348925736  -1.4923461909
H   -0.7605584500  -0.8677896702  -0.9246640151
H   -4.4527782865   1.3261376529  -0.6822458431
H   -1.8066411183  -0.4627686148  -3.1496918702
H   -0.8816385488   1.0096898616  -2.8828719587
H   -2.9495771335   2.2319312698  -2.7484666181
H   -3.8177616284   0.7270941157  -3.0259588077
H   -3.4378336769   3.6408505332   0.5672602824
H    0.7101763172   3.3193656046   1.5964153185
H   -1.4113017389   4.5291112274   1.7096975892
H    1.7224869206   1.2018027134   1.2784074762
H    3.8889717180  -0.4028586873  -2.4379118632
H    4.2322659928  -0.9500453778   2.8842313175
H    6.7071731582  -0.8590001701  -2.0662632691
H    5.9044838686  -2.4392667215  -2.1601762824
H    6.8907575138  -2.0274452073  -0.7483117593
*