! 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    0.7644513536   2.0222320980   1.9282583280
F    4.2222707537  -1.6737505667  -1.0614897281
O   -1.2282662604  -0.0996837522   1.7303398051
N   -1.6789124540  -1.8278396658  -0.5014182096
N   -1.0047478590  -2.4407251903  -1.4776401495
N   -1.6542315719  -3.9202354793   0.0702888739
C   -0.8350358747   0.2938081627   0.4370794509
C   -1.8417960345  -0.3966050469  -0.5014869504
C    0.5616388430  -0.2004519319   0.0809665410
C   -0.9181445603   1.8119148130   0.2973438301
C    1.1718868301  -1.2169623987   0.8049748225
C    1.2126147044   0.3044717325  -1.0404170828
C   -0.0919330057   2.6152942052   1.0751059810
C   -1.7899710344   2.4734007117  -0.5631794909
C    2.4098896614  -1.7186644826   0.4280852830
C    2.4467128470  -0.1855010138  -1.4347811649
C   -0.0939785420   3.9921625838   1.0177805117
C   -1.8187860077   3.8589645141  -0.6436898509
C   -2.0557015525  -2.7211884435   0.4179728952
C    3.0250565198  -1.1934967339  -0.6883824225
C   -0.9705966581   4.6196415192   0.1444088210
C   -1.0162050911  -3.6904821915  -1.0948952419
H   -2.8623134751  -0.1552101854  -0.2009286851
H   -1.7035055338  -0.0691738823  -1.5288283991
H    0.6916064299  -1.6453753268   1.6744131158
H    0.7591038543   1.0927337021  -1.6289872594
H   -2.4634707210   1.9136954790  -1.1974542048
H   -0.5652292252   0.1691763522   2.3759299471
H    2.8812889961  -2.5095893625   0.9968376016
H    2.9479103098   0.2113077321  -2.3079021563
H    0.5789805510   4.5617884925   1.6454718593
H   -2.5060843765   4.3394720810  -1.3267610993
H   -2.6195073639  -2.4619031287   1.2993263397
H   -0.9853619606   5.6995748834   0.0843349536
H   -0.5510926078  -4.4683615034  -1.6806160445
*