! 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  -2.7635076519  -2.4434605741   1.6161832314
Cl  -5.2557636910  -0.9780782986   1.4519837559
F    4.7482063744  -1.8240943895  -2.6280166687
F    3.9877675148   0.2103201996  -2.8529144172
O    1.2324254412   0.3772820713  -1.4376851453
N    1.0676769820   1.2744369625   0.6362137958
N    4.6459694154  -0.8996472915   1.1994626142
N    4.8643559449  -1.2602514417  -0.0599815959
C   -1.6195077117  -0.1118453364  -0.3516658906
C   -3.5772136087   1.0455954205  -0.4780500270
C   -1.9401720941  -0.0957076046  -1.8714847699
C   -3.2735556152   0.6898261595  -1.9563570349
C   -3.0280236260  -0.1920654329   0.1891227791
C   -1.3127778720   1.3121362318   0.0479010534
C   -2.5156011113   2.0233176699  -0.0345962348
C   -0.1543049045   1.9494728935   0.4576463409
C   -2.5894122883   3.3650352133   0.2732158000
C   -3.6018225022  -1.0796646746   0.9747834760
C   -0.2274071936   3.3078904793   0.7830613883
C   -1.4227298777   4.0018876977   0.6935764468
C    1.6853395876   0.5309567828  -0.3146511639
C    2.9459241082  -0.0988863706   0.0920627675
C    3.8485275940  -0.7867251311  -0.7458747646
C    3.5135368731  -0.2069644340   1.3467583840
C    3.7672663861  -0.9789861781  -2.2217348775
C    5.5659840161  -1.2911312032   2.2442333468
H   -0.9143932239  -0.8745219740  -0.0347915444
H   -4.6052721272   1.3288146010  -0.2683840105
H   -2.0613018956  -1.1169905731  -2.2341435571
H   -1.1349754962   0.3647194501  -2.4383851607
H   -3.2027820389   1.5854355668  -2.5733952574
H   -4.0739798189   0.0712960901  -2.3636824950
H   -3.5244019970   3.9075111098   0.2131217558
H    0.6669760399   3.8209898111   1.1154539003
H   -1.4462011711   5.0508805425   0.9587613539
H    1.5926387349   1.5251390348   1.4602196830
H    3.1885835567   0.1408731315   2.3149096927
H    2.8097394895  -1.3727490010  -2.5566707343
H    6.4394115648  -1.7387927273   1.7810608539
H    5.1032708856  -2.0165978800   2.9107127970
H    5.8752555833  -0.4209207012   2.8185537933
*