! 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    2.9982919653   2.2520305882  -2.9605633171
F    2.6076600905   0.1136889990  -3.1723269354
F   -1.3518729667   2.0666108164   2.7038539902
F   -3.8961851440   1.6779148696  -1.1867515003
F   -2.9349019564   3.1842481628   0.8322887157
O    0.2709962679  -0.7176664355  -1.3548109909
N    0.7692935550  -1.7807784385   0.5804719742
N    3.6832847474   1.2723305707   0.7934538210
N    3.6003210170   1.7165289011  -0.4557254854
C   -1.6278424963  -2.2428470300   0.5071211144
C   -0.3025689922  -2.6924199894   0.5310583477
C    2.0904554258   0.0878177986  -0.1104614864
C   -1.9656098649  -0.8068887438   0.5952313297
C    2.6429958316   1.0144978618  -1.0186279362
C    0.9741999212  -0.8262928747  -0.3652127803
C    2.8019053794   0.3026423313   1.0536960925
C   -2.6483587717  -3.1869703185   0.4180637954
C   -0.0271958882  -4.0546670694   0.5151843499
C   -2.7919907727  -0.2303040204  -0.3641779702
C   -1.4769707221  -0.0295764935   1.6427498668
C   -2.3720397880  -4.5450442903   0.3955627641
C    2.2780152194   1.2222626001  -2.4490254706
C   -1.0568407529  -4.9803518076   0.4609002345
C    4.6090323577   1.8769594358   1.7248613352
C   -1.8090899346   1.3058620578   1.7071817613
C   -3.1122173225   1.1067423079  -0.2707577829
C   -2.6246319779   1.8915013794   0.7568081978
H    1.5077860004  -1.9787508750   1.2378755795
H    2.7315352270  -0.1449365101   2.0327204202
H   -3.6774821706  -2.8506660192   0.3955667072
H    1.0032459933  -4.3874529792   0.5302133872
H   -3.1701923103  -0.8090804289  -1.1966164942
H   -0.8502803827  -0.4547280601   2.4151888779
H    1.2197511403   1.4285568757  -2.6026584847
H   -3.1832111214  -5.2586911473   0.3393515818
H   -0.8284239173  -6.0378936274   0.4514877539
H    4.0840333015   2.5292661907   2.4205597476
H    5.1342097786   1.1051932921   2.2820530787
H    5.3307216661   2.4613340496   1.1629223193
*