! 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  -5.0219138350   1.6204287375   0.4695955931
F   -2.6944003421  -2.7754507715  -0.8900328719
F   -0.7163385807  -2.1477405340  -1.4434207090
F   -1.0785696699  -2.9751530178   0.5087397243
O    2.2581802025   1.3820114349  -1.5486437767
N    2.6356237767  -0.8762822883   0.2389321037
N    0.4493340653  -0.5616067944   0.7551571733
N    4.1703474279  -1.9559106313   1.3988511381
C    1.3829492263  -0.3403643147  -0.0648268514
C    1.2662188796   0.4182401696  -1.3723906704
C    2.1485881815   2.5007815437  -0.6876993498
C   -0.8283183053  -0.0345752221   0.6190635941
C    3.2489494783   3.4827419528  -1.0286580843
C   -1.8772176279  -0.7994097141   0.0947287684
C   -1.1075174463   1.2413495718   1.1032805438
C   -3.1660172873  -0.2860475116   0.0473066092
C    3.7661594110  -0.9313781482  -0.5561457751
C    3.1933603727   4.7170044625  -0.1422171290
C    2.9519227186  -1.5195946870   1.4074744572
C   -1.5959418926  -2.1743925635  -0.4279651767
C   -2.3897558059   1.7565229615   1.0563210739
C   -3.4129493626   0.9874443751   0.5277155951
C    4.6885038394  -1.5996412313   0.1764840834
H    0.2632201809   0.8539823767  -1.4377393940
H    1.3556338768  -0.2965678566  -2.1951226154
H    2.2383270911   2.1969613960   0.3650664384
H    1.1639656615   2.9737276475  -0.8061324804
H    4.2181635333   2.9896423852  -0.9166886653
H    3.1591136628   3.7758949528  -2.0779366939
H   -0.3090212796   1.8328501567   1.5316620115
H   -3.9791720720  -0.8689074495  -0.3616441082
H    3.8249790233  -0.5042545224  -1.5403329920
H    3.3006583207   4.4600320672   0.9131826022
H    3.9961102586   5.4109902969  -0.3919744565
H    2.2500402899   5.2537498003  -0.2583867478
H    2.2416471426  -1.6231578918   2.2111004809
H   -2.5834587809   2.7515521096   1.4330496993
H    5.7010007126  -1.8419734429  -0.1050984105
*