! 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   -3.6754246651  -1.7724744977  -1.3643731490
F   -2.1194224673  -1.9963253169   0.1095449815
F   -4.1756460365  -2.2745430415   0.6599701523
O    4.4508569730   0.6050807885   1.0872718277
O   -1.3122162399  -0.0144069364  -1.9711455374
N   -0.0592116331   0.5665656717  -0.1529710331
C    5.8476648941   0.3191763572   0.9480572955
C   -2.4297439868   0.8198664698  -0.0538422061
C    1.2541274575   0.3045510011  -0.5620599492
C    3.5883753101   0.3149960422   0.0961194462
C   -3.4645615010  -0.0681405709   0.2533082956
C    2.2464047357   0.5487375780   0.3830923243
C   -1.2161429152   0.3984603515  -0.8325294781
C    6.5574872186   1.1709438733   1.9804161088
C    6.1187621074  -1.1614116788   1.1489968769
C    1.6032780876  -0.1791196616  -1.8239243325
C    3.9429994920  -0.1739530472  -1.1607965525
C   -2.5537442484   2.1577821873   0.2976090925
C   -4.6044387076   0.3963915044   0.8941942966
C    2.9433261338  -0.4069537387  -2.0927030241
C   -3.3584533369  -1.5262528210  -0.0881527590
C   -3.6996943941   2.6195126337   0.9291860094
C   -4.7253734241   1.7387955990   1.2243387596
H    6.1865730701   0.6289886261  -0.0463362402
H    1.9804306894   0.9287601695   1.3634511179
H   -0.1494758614   0.8782158362   0.8032447781
H    7.6343115138   1.0187654155   1.9076022808
H    6.3620631561   2.2322288933   1.8230735018
H    6.2503410042   0.9090822905   2.9944393069
H    5.5901172728  -1.7868743405   0.4287216747
H    5.8252265570  -1.4784813784   2.1513775443
H    7.1842810322  -1.3624211392   1.0321568386
H    0.8662880175  -0.3809540231  -2.5822311796
H    4.9695636848  -0.3768056136  -1.4307049866
H   -1.7575850612   2.8520619156   0.0604324157
H   -5.4097947814  -0.2783464607   1.1491695444
H    3.2204562202  -0.7860567226  -3.0679131863
H   -3.7859400054   3.6665224344   1.1868152465
H   -5.6223854181   2.0868845556   1.7181639251
*