! 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    2.6628674940  -0.5275190913  -2.6909237169
F    2.9987318003  -2.2188171380  -1.3590866237
O    0.8772779529  -0.3920409887   1.8222117618
N    0.5240127775  -0.4738724762  -0.4124709281
N    4.5706432204   1.2265003557   0.7389687113
N    4.7465155667   0.5231471516  -0.3689958894
C   -3.3948645459   1.2668999464   0.6504080853
C   -1.9828561678   0.8029207737   1.0826073232
C   -4.0406248575  -0.1102866795   0.9365499630
C   -2.2696699722   0.3336565814   2.5298671424
C   -3.6834811509  -0.2886403378   2.4305712170
C   -1.8394844613  -0.4415805246   0.2499687300
C   -3.1159757385  -1.0119995923   0.1643421498
C   -3.5385980046   1.8203781256  -0.7652625703
C   -0.7721585532  -1.0374045781  -0.3934680760
C   -3.3399100843  -2.1751358790  -0.5410285421
C   -2.7075689056   3.0877868060  -0.9398316172
C   -5.0021598068   2.0992204995  -1.0919979558
C   -0.9961828765  -2.2101597472  -1.1231719720
C   -2.2601294836  -2.7698335888  -1.1960200734
C    1.2825563503  -0.2478780995   0.6801945409
C    2.6613786652   0.2125748004   0.4199882519
C    3.6045888785  -0.0971481027  -0.5841551803
C    3.3471793971   1.0667248599   1.2564683795
C    3.5185371399  -1.0213582241  -1.7409986376
C    5.6140162231   2.1008756749   1.2236447625
H   -3.7772036093   2.0206228323   1.3512072153
H   -1.1750649042   1.5275763917   1.0044176830
H   -5.1007804199  -0.2260690304   0.7147280884
H   -2.2603354281   1.1904313572   3.2062241660
H   -1.5166560480  -0.3671998622   2.8835384291
H   -3.7103715975  -1.3353233033   2.7357897845
H   -4.4009051447   0.2473853496   3.0547911924
H   -3.1710881760   1.0770446514  -1.4809774004
H   -4.3296580262  -2.6101807946  -0.6089570297
H   -1.6410451478   2.9044219245  -0.7997819944
H   -2.8321136485   3.5040128639  -1.9416353570
H   -3.0058684972   3.8600344531  -0.2256608918
H   -5.1078937941   2.5187760050  -2.0945145652
H   -5.6112406625   1.1945747773  -1.0571655557
H   -5.4366535679   2.8163711522  -0.3903772039
H   -0.1659663163  -2.6787394539  -1.6382353698
H   -2.4083682106  -3.6742416907  -1.7720481596
H    0.9229837379  -0.3049536201  -1.3222417871
H    3.0341736733   1.5669240763   2.1587941074
H    4.4896933157  -1.1834624750  -2.2091379813
H    5.6145237225   2.1025265861   2.3105864942
H    6.5725164067   1.7335678005   0.8685759524
H    5.4619625282   3.1171023239   0.8625621265
*