! 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   -0.5894046620   1.0261796272  -1.8992249383
F    5.6074683640  -0.4218250298  -0.2556704083
O   -0.1762526341  -1.0733157701   1.7871661821
N   -1.9692631017  -1.4958291214  -0.5679740274
N   -2.6536343325  -1.7323659866   0.5547713689
N   -4.0554591451  -1.3483466284  -1.1397423921
C    0.0251019804  -0.5001453729   0.5184237839
C   -0.5258742204  -1.4734938128  -0.5534712205
C    1.5347655685  -0.4214160482   0.3235410040
C   -0.6519865491   0.8722538918   0.4607653442
C    2.3073127136  -1.5322004958   0.6661129901
C    2.1784066592   0.6893153434  -0.2096646186
C   -0.9417580675   1.5582739258  -0.7115589132
C   -1.0091176184   1.5116959886   1.6474329589
C    3.6790025070  -1.5417526814   0.4739842015
C    3.5522945781   0.6978702692  -0.4098272428
C   -1.5658112066   2.7900064567  -0.7395787107
C   -1.6309722076   2.7505725875   1.6536359728
C   -2.8175114301  -1.2636641743  -1.5692786927
C    4.2793602510  -0.4215695691  -0.0662860295
C   -1.9167114919   3.3912793682   0.4579283734
C   -3.9002136225  -1.6336665996   0.1649442742
H   -0.1814644451  -1.2321476150  -1.5535845975
H   -0.1603406386  -2.4756839199  -0.3232070844
H    1.8455692914  -2.4120444648   1.0935230421
H    1.6314081535   1.5867876856  -0.4606739958
H   -0.7961665877   1.0300495615   2.5910025038
H   -1.1050475370  -1.3524559140   1.8475929272
H    4.2689555832  -2.4078790935   0.7437596714
H    4.0434489631   1.5697961501  -0.8211472996
H   -1.7677172627   3.2678774407  -1.6894185003
H   -1.8924699195   3.2121012880   2.5964151867
H   -2.4970277744  -1.0518765280  -2.5770079575
H   -2.4067167491   4.3557242763   0.4514015711
H   -4.7237392983  -1.7709462812   0.8480815053
*