! 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    0.4003383159   1.5168138489  -0.8898240774
F    0.7073843354   1.8023302578   1.2517340698
F   -3.3828928489   1.7159597878  -2.3932128902
F   -2.3651570935   2.2423161058   2.1261858475
F   -3.2921194463   3.2566105469  -0.1874006158
O    2.5897883307  -2.3990214942   0.8111668104
N    0.7311277467  -1.3718250254   0.0041543718
N    4.6564246487   0.9964512459  -0.1620345150
N    3.6727313663   1.8821036092  -0.1923394028
C   -1.5707023972  -2.0574557963   0.0436202397
C   -0.2118332068  -2.4075721139   0.0911057474
C    2.8358869217  -0.1859415798   0.1210759972
C   -2.0055198768  -0.6404952537  -0.0230361669
C    2.5617379123   1.1947208845  -0.0303044994
C    2.0420246873  -1.4097346323   0.3521005470
C    4.2129136926  -0.2476516391   0.0323169363
C   -2.5388019999  -3.0543305475   0.0596953606
C    0.1375853829  -3.7568389079   0.1692757542
C   -1.9533127562   0.1573424216   1.1156099173
C   -2.4885183050  -0.1180445701  -1.2191251860
C   -2.1888661598  -4.3920716074   0.1457381649
C    1.3007677074   1.9693432046   0.0393306743
C   -0.8471819421  -4.7320037578   0.2027823309
C    6.0331807658   1.4195136971  -0.2935403830
C   -2.9157382049   1.1923608588  -1.2594073072
C   -2.3917368058   1.4618864717   1.0461988167
C   -2.8739886542   1.9939619836  -0.1345831733
H    0.3876678625  -0.5157893548  -0.4029717272
H    4.8813016760  -1.0918846351   0.0846648453
H   -3.5827511441  -2.7698337185   0.0191142151
H    1.1712192676  -4.0584094412   0.1908573101
H   -1.5852310748  -0.2333613497   2.0550639342
H   -2.5303327655  -0.7222989295  -2.1158768576
H    1.4649475013   3.0323598277  -0.1356034218
H   -2.9547854532  -5.1555364981   0.1677701209
H   -0.5514003459  -5.7712206771   0.2645143897
H    6.5294328519   0.8452759773  -1.0721814996
H    6.0456298960   2.4704631567  -0.5640989042
H    6.5643728124   1.2855567206   0.6467178320
*