! 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  -2.7446772678  -2.7756410814  -0.0005001437
Cl  -5.2255772848  -1.2979972306   0.2199540059
F    3.0496090806   0.3211236758   2.7310511032
F    3.7906853561  -1.7312931362   2.8112560846
O    1.3510716426   0.6681876590  -1.8189648978
N    1.1426049056   1.0484783951   0.4078996626
N    5.0614246864  -0.9156376045  -0.8232931008
N    4.8302978080  -1.2017666978   0.4511900328
C   -1.5207404076   0.0455425144  -1.0834967548
C   -3.4702989710   1.2079170068  -0.9019897148
C   -1.7886654558   0.5435248660  -2.5299040761
C   -3.1135469258   1.3376748941  -2.4049493967
C   -2.9486716541  -0.1836307629  -0.6444261421
C   -1.2240391599   1.2671302801  -0.2427438262
C   -2.4253457876   1.9793141643  -0.1338081518
C   -0.0848225946   1.7352285916   0.3916711674
C   -2.5220300447   3.1487904311   0.5887231737
C   -3.5547458581  -1.2675578455  -0.2062260220
C   -0.1818155066   2.9178438652   1.1342202260
C   -1.3762606139   3.6095685196   1.2339010237
C    1.7892922324   0.5653456920  -0.6867007883
C    3.0768292123  -0.0971434734  -0.4265609171
C    3.6372968634  -0.7140802105   0.7152791168
C    4.0453860959  -0.2665424606  -1.3960395210
C    3.0444625813  -0.8843164678   2.0709926805
C    6.3033239149  -1.3097303126  -1.4508400775
H   -0.8311422997  -0.7887295814  -1.0020919647
H   -4.5044369336   1.4247313236  -0.6481278861
H   -1.9063707607  -0.3112754451  -3.1966143941
H   -0.9615904314   1.1433951777  -2.9011951519
H   -3.0161970061   2.3821436824  -2.7006333810
H   -3.9012093796   0.8942965059  -3.0147377015
H   -3.4596819305   3.6824278100   0.6750326299
H    0.6955748664   3.2939233720   1.6469066775
H   -1.4142154773   4.5145507166   1.8258624521
H    1.6974447834   1.1999204789   1.2366437567
H    4.0697018395   0.0394829988  -2.4291237294
H    2.0150651613  -1.2458303280   2.0519912640
H    6.8320065408  -0.4354947842  -1.8245201569
H    6.1118606188  -1.9939190761  -2.2747576141
H    6.9190637143  -1.8078717764  -0.7089604723
*