! 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   -3.1243436630  -0.8255276240  -2.4289553621
F   -1.2352908571   0.0936110242  -1.9928773645
F   -1.8652361724  -1.6500166468  -0.8986242913
O    4.4616812611  -0.2306426587  -0.5258142307
O   -1.4452290688  -1.1363858094   2.2842029937
N   -0.1117579709   0.0593900906   0.8715616087
C    4.2856454117   0.7252755847  -1.5762941734
C   -2.4732001973   0.4749940198   0.8935146782
C    1.1590406547  -0.4958408642   1.0747474971
C    3.4490685865  -0.5575963117   0.2961260947
C   -2.9620436192   0.3794051023  -0.4121994317
C    2.1511331922  -0.0757800299   0.1828701229
C   -1.2958966734  -0.3014996131   1.4140298560
C    4.3123038228   2.1412125856  -1.0289920954
C    5.4064826984   0.4772787861  -2.5642704622
C    1.4622271989  -1.3981914734   2.0880786287
C    3.7577392325  -1.4645794512   1.3133596046
C   -3.1376665506   1.2794475175   1.8117197194
C   -4.0845836462   1.1099598437  -0.7841206570
C    2.7673476585  -1.8679750775   2.1852854985
C   -2.3003831788  -0.5023069380  -1.4310068301
C   -4.2508029760   2.0122776991   1.4334059489
C   -4.7225403106   1.9287572914   0.1334893268
H    3.3334194227   0.5390254966  -2.0854480986
H    1.8805582538   0.6243587051  -0.5969042850
H   -0.1381096666   0.8274777748   0.2180518245
H    5.2720566698   2.3568855244  -0.5559538531
H    4.1710445555   2.8550786964  -1.8412756680
H    3.5262832499   2.3252134192  -0.2955773741
H    5.3713111541  -0.5387988132  -2.9589302702
H    6.3848023956   0.6372083800  -2.1074843438
H    5.3148126684   1.1626783879  -3.4069695228
H    0.7200213842  -1.7296209708   2.7941046331
H    4.7673238947  -1.8440328893   1.4059362911
H   -2.7744698025   1.3413656974   2.8293585084
H   -4.4797027366   1.0431219655  -1.7881941555
H    3.0114666968  -2.5695611719   2.9724842295
H   -4.7510681066   2.6420311659   2.1566075407
H   -5.5948009878   2.4918835288  -0.1689840109
*