! 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   -0.1489772604   1.9057197670  -1.6691871387
F    4.5775785704  -1.4353200049  -0.5256282728
O   -1.0370426008  -0.2295367770   1.8753835749
N   -1.7557765280  -1.7671571095  -0.5239197314
N   -1.6980738022  -2.5588029437   0.5510280936
N   -1.6633819537  -3.7865414484  -1.3119319952
C   -0.7132565681   0.1978140287   0.5780239251
C   -1.7922971791  -0.3256134061  -0.3953464434
C    0.7044467797  -0.2624909440   0.2261484094
C   -0.7654686706   1.7247629780   0.6040282958
C    1.6612776732  -0.2706870085   1.2403360689
C    1.0976720049  -0.6527940388  -1.0499123690
C   -0.4656678150   2.5045951679  -0.5069531292
C   -1.0967407856   2.4139636439   1.7696870357
C    2.9687191151  -0.6589136523   0.9974103119
C    2.4003971002  -1.0546501512  -1.3116425563
C   -0.4739119685   3.8843819289  -0.4916034204
C   -1.1140775005   3.8008901964   1.8142660863
C   -1.7307264435  -2.5141855781  -1.6274011873
C    3.3155318621  -1.0497958918  -0.2806662965
C   -0.8001499359   4.5400004746   0.6849952044
C   -1.6404545740  -3.7597873961   0.0316266671
H   -2.7682619167  -0.0238791320  -0.0117172045
H   -1.6975878523   0.0861742760  -1.3962550354
H    1.3918124971   0.0284661462   2.2441908556
H    0.4055351769  -0.6542651556  -1.8792758359
H   -1.3410830034   1.8620747704   2.6648413072
H   -1.1616376347  -1.1936906970   1.8481110859
H    3.7026579959  -0.6596162005   1.7926934479
H    2.6916868552  -1.3638027726  -2.3068738995
H   -0.2263916144   4.4322566529  -1.3916290513
H   -1.3721337036   4.3006829055   2.7382982262
H   -1.7667385721  -2.0955531885  -2.6211387519
H   -0.8077662289   5.6213547440   0.7126366566
H   -1.5812489196  -4.6442318719   0.6462909525
*