! 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   -3.5746992889  -2.1332754977   0.2347796534
F   -1.8578789990  -1.4503880553   1.3411343641
F   -3.8311438521  -1.1921974170   2.1452044997
O    4.8352636145   0.3884573752   0.1048185302
O   -1.3247469115  -1.2934170360  -1.6111581018
N    0.1087446912   0.2036124496  -0.6515240378
C    4.7296388833   1.4918107829   1.0093445803
C   -2.2392191894   0.6195771390  -0.5559826774
C    1.3707465348  -0.3567934817  -0.8855543964
C    3.7404818675  -0.1790308346  -0.4325403133
C   -3.2175496591   0.1945475824   0.3459057158
C    2.4450566370   0.2952871793  -0.2709926692
C   -1.1106942474  -0.2711042991  -0.9899713378
C    4.2896176475   1.0241431219   2.3853364749
C    6.0981975617   2.1396820598   1.0426735915
C    1.5902070583  -1.4855715385  -1.6684748564
C    3.9645799208  -1.3157565237  -1.2130775525
C   -2.3486350536   1.8744135370  -1.1412442490
C   -4.2924600530   1.0231234909   0.6383257333
C    2.8942788186  -1.9442579908  -1.8162454785
C   -3.1205918412  -1.1462456655   1.0133532123
C   -3.4293759653   2.6948924019  -0.8526985874
C   -4.4021833086   2.2670305108   0.0343813237
H    4.0135672920   2.2217356384   0.6158415879
H    2.2403361071   1.1703131902   0.3323964728
H    0.1122273769   1.0391045399  -0.0844686668
H    4.2152948447   1.8773068373   3.0606303052
H    3.3149505721   0.5346268999   2.3747696162
H    5.0132853623   0.3242170861   2.8073205444
H    6.4020996407   2.4810552072   0.0523289446
H    6.8569332409   1.4506188471   1.4184913628
H    6.0812307227   3.0087122806   1.7006405041
H    0.7818706672  -2.0047577802  -2.1543751217
H    4.9726050543  -1.6898535166  -1.3392086652
H   -1.5938482150   2.2084597993  -1.8418747127
H   -5.0532786852   0.7131199718   1.3413039675
H    3.0717666277  -2.8232530644  -2.4224496530
H   -3.5088343787   3.6651837866  -1.3243157103
H   -5.2473910677   2.9008126270   0.2659531231
*