! 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    0.1527372601   0.9782421831  -1.8709806666
F    5.5695732689  -0.1458789155  -0.1428640869
O   -0.1515894710  -1.1048872052   1.7871577660
N   -2.1134989058  -1.5328515173  -0.3869199212
N   -2.7093684933  -1.8096831633   0.7766742141
N   -4.2123517350  -1.1014970821  -0.7147198143
C   -0.0067120892  -0.6146199804   0.4762279825
C   -0.6783041050  -1.5946479973  -0.5124871562
C    1.4948216628  -0.5074981968   0.2510519285
C   -0.6509519449   0.7648195129   0.3314078016
C    2.1929353963  -1.2985377777  -0.6519573619
C    2.2093718074   0.4034398538   1.0271460282
C   -0.5459080796   1.4967294596  -0.8437601615
C   -1.3789959888   1.3453163073   1.3645748819
C    3.5700375578  -1.1835910119  -0.7924225161
C    3.5820991261   0.5330412696   0.9030525118
C   -1.1248832091   2.7360658071  -1.0191186756
C   -1.9745773349   2.5909912984   1.2193978762
C   -3.0199652729  -1.1010395717  -1.2630614986
C    4.2399814054  -0.2674598946  -0.0108238358
C   -1.8502120145   3.2866967781   0.0275740764
C   -3.9673009208  -1.5355216823   0.5339446057
H   -0.4374998442  -1.3710839696  -1.5481133622
H   -0.3489749587  -2.6137628658  -0.3055604878
H    1.6863125209  -2.0236252554  -1.2741097896
H    1.6933518293   1.0354460738   1.7392789345
H   -1.4765937610   0.8249418863   2.3071089121
H   -1.0679065038  -1.4043337581   1.9104178869
H    4.1061980190  -1.8002420393  -1.5018012483
H    4.1295984943   1.2466263270   1.5048916776
H   -1.0081761567   3.2597150061  -1.9592710530
H   -2.5348992674   3.0148281642   2.0420738810
H   -2.7721525625  -0.8118293007  -2.2727712930
H   -2.3117926177   4.2576778195  -0.0931862885
H   -4.7331672602  -1.6593166656   1.2837542752
*