! 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    4.8147264763   1.9652031798  -0.0140401740
F   -1.7631208112  -2.2729153017   0.3831518528
F   -2.2406606206  -1.8583969782  -1.7038462437
O   -1.6266636013   2.4879542163  -0.4598980593
N   -0.5320128612   0.5375373989  -0.0505566950
N   -5.0888826164   0.5081309370   0.4536521109
N   -4.7301307630  -0.7386887848   0.1910811520
C    4.0202990100  -0.8978405696   0.4379404505
C    2.9650115127  -1.9724248232   0.7998512267
C    1.6122172775  -1.5178293917   0.2280747434
C    3.1435528477   0.3053320475   0.1656831675
C    1.7951849979  -0.0248194020   0.1077572630
C    4.9750061651  -0.6826531735   1.6130938288
C    4.8260528461  -1.2776445099  -0.8079937393
C    1.2885348619  -2.1512933308  -1.1262353209
C    0.8107915750   0.9495984538  -0.0906676542
C    3.5135571529   1.6197159538  -0.0375656512
C    1.2206881585   2.2705871012  -0.2841677179
C    2.5696397959   2.5974744099  -0.2659616355
C   -1.6469837277   1.2958669330  -0.1961301087
C   -2.9477774329   0.6285306935   0.0142008180
C   -3.4407248533  -0.6947586778  -0.0721551550
C   -4.0684614797   1.3626788118   0.3516353934
C   -2.7935135298  -1.9682149904  -0.4661644717
C   -6.4597613645   0.8095025614   0.7927263453
H    2.8855406039  -2.0407587227   1.8872241626
H    3.2523262714  -2.9632440151   0.4414140174
H    0.8161965353  -1.7772831477   0.9323963524
H    5.7750267110   0.0191317247   1.3782549666
H    4.4473151129  -0.3102991981   2.4930367295
H    5.4455894119  -1.6291106726   1.8884827996
H    5.4035333753  -2.1867049390  -0.6266420145
H    4.1868474059  -1.4600771434  -1.6722933667
H    5.5313878587  -0.4913790477  -1.0816069462
H    2.0932113229  -1.9888336580  -1.8438587789
H    0.3803852372  -1.7443712803  -1.5693760602
H    1.1476470655  -3.2282234756  -1.0225221993
H    0.5052661471   3.0580959107  -0.4455599212
H    2.8752679435   3.6243176954  -0.4204385555
H   -0.6698706502  -0.4054411140   0.2758208930
H   -4.1834286768   2.4190003960   0.5323343905
H   -3.4964601049  -2.8009338011  -0.4600803969
H   -6.7492410877   0.2746210585   1.6944954235
H   -6.5537452091   1.8769395553   0.9669896842
H   -7.1179301355   0.5231450111  -0.0246539346
*