! 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    0.5155768690   2.3645144891  -0.7748747113
F    2.1927543422   3.1606198109  -1.9299887381
F   -1.3898762665   2.1035120557   2.2660922584
F   -3.7348260273   1.3634834818  -1.6980350350
F   -2.8947466914   3.0415427553   0.2370366544
O    0.4544745586  -0.8251490237  -1.4042128675
N    0.9049800446  -1.8614778445   0.5563611189
N    4.2589244938   0.7282973843   0.3940749053
N    3.7044428964   1.6758174813  -0.3519659904
C   -1.4866553554  -2.3666794830   0.3992158488
C   -0.1567447427  -2.7885012510   0.5102151598
C    2.3194218223  -0.0855731132  -0.1815276767
C   -1.8550395901  -0.9358614208   0.3644293217
C    2.5349020873   1.1995239130  -0.7174556766
C    1.1496292087  -0.9444030002  -0.4098696843
C    3.4714956844  -0.3440492064   0.5324777945
C   -2.4862157469  -3.3360076376   0.3387874176
C    0.1423713471  -4.1431437261   0.5960483954
C   -2.6436894029  -0.4529625217  -0.6749487934
C   -1.4307259349  -0.0708457809   1.3694418992
C   -2.1863589068  -4.6863617632   0.4239797069
C    1.5911081893   2.0098323738  -1.5378049232
C   -0.8674423158  -5.0911558091   0.5663580019
C    5.5878383695   0.9025926435   0.9367371612
C   -1.7834408250   1.2595349769   1.3102284772
C   -2.9856894755   0.8811806668  -0.7042402902
C   -2.5595452466   1.7532224046   0.2789541411
H    1.5405816306  -1.9305443829   1.3359644959
H    3.7884985551  -1.2090549612   1.0941915293
H   -3.5193290785  -3.0229750547   0.2530810631
H    1.1772343723  -4.4519606378   0.6751712005
H   -2.9724813414  -1.1023953552  -1.4757086205
H   -0.8362157300  -0.4220248371   2.2020767270
H    1.2228729186   1.4902590988  -2.4203213254
H   -2.9828890094  -5.4177109644   0.3900514177
H   -0.6207937065  -6.1421617930   0.6382172703
H    6.2702577362   0.1645508147   0.5197503623
H    5.9365025036   1.8964538077   0.6752891696
H    5.5705915833   0.8048359817   2.0200339215
*