! 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
F   -1.6687359324  -1.9270428234   2.1672387898
F   -3.0497109822  -3.0408662331   0.8887146475
O   -2.4919180701   1.0407776582   2.3427847749
N   -0.7869501659   2.1787308631   1.4239829646
N   -1.9381209531  -0.4190963183  -1.8376174336
N   -2.3709461070  -1.4123124723  -1.0688154063
C    1.8671039455  -0.6850319403  -0.5990410505
C    1.3800628854  -0.0104833172   0.7056882860
C    2.9905682633   0.3554126048  -0.8303232838
C    2.6798184248   0.0227570251   1.5487218400
C    3.7860665468   0.2557005470   0.4930205648
C    1.1783383848   1.3919525862   0.2002585236
C    2.1872068144   1.6246031129  -0.7399186585
C    2.2631017576  -2.1560364619  -0.5164085199
C    0.2653262998   2.3855079071   0.5043892996
C    2.3307890735   2.8557163519  -1.3476955749
C    2.8963405991  -2.6150220138  -1.8257123491
C    1.0461568265  -3.0148646358  -0.1857326514
C    0.3977825846   3.6295049068  -0.1181985740
C    1.4231667469   3.8633836082  -1.0214102089
C   -1.7348622514   1.2136726148   1.3962306686
C   -1.8561557204   0.3797980959   0.1905091566
C   -2.3375910477  -0.9447339122   0.1588038598
C   -1.6102817850   0.6713367420  -1.1363205664
C   -2.7303358428  -1.7952611202   1.3170921745
C   -1.8802195003  -0.5755834501  -3.2732358447
H    1.1001612739  -0.5889471909  -1.3779313095
H    0.5355112341  -0.4695414550   1.2135960738
H    3.5943969657   0.2514681296  -1.7309393334
H    2.8186433257  -0.9236141747   2.0741772202
H    2.6460298746   0.8039493531   2.3085635767
H    4.3720014803   1.1557485372   0.6817582669
H    4.4887138225  -0.5789778794   0.4576083811
H    3.0003349726  -2.2989848808   0.2806008785
H    3.1208784825   3.0409587752  -2.0651735761
H    3.8140223959  -2.0704902655  -2.0547204681
H    3.1534962399  -3.6753549084  -1.7869419932
H    2.2113265622  -2.4758283165  -2.6663774965
H    0.2595591140  -2.8941956792  -0.9349539664
H    1.3111785784  -4.0736292690  -0.1547489279
H    0.6123566613  -2.7634331243   0.7824521732
H   -0.3183301901   4.4119884851   0.1014345236
H    1.5046712868   4.8356844634  -1.4901716111
H   -0.8362476919   2.8046205555   2.2172916676
H   -1.2562265961   1.5669189694  -1.6204209766
H   -3.5692627322  -1.3993197017   1.8871478048
H   -2.6535331942   0.0177934028  -3.7576229164
H   -0.9068537009  -0.2668969386  -3.6475503025
H   -2.0340898161  -1.6233335170  -3.5113144642
*