! 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    0.2539082430   1.0477738165  -1.8032669964
F    5.5826213560  -0.2065712097  -0.1627374101
O   -0.2284575496  -1.0077237216   1.8096069659
N   -2.1180627052  -1.5394650114  -0.3385650951
N   -2.8659190812  -0.8084198821  -1.1681891754
N   -4.1397768957  -1.7291428595   0.4243001961
C   -0.0001614271  -0.5851906066   0.4853934412
C   -0.6857993922  -1.5802437571  -0.4772072253
C    1.5022086935  -0.4931600299   0.2427789475
C   -0.6574782857   0.7784004530   0.3484992669
C    2.1806827987  -1.2781799323  -0.6811340681
C    2.2390969833   0.3872465094   1.0342693562
C   -0.5106475562   1.5304029964  -0.8082645076
C   -1.4740547228   1.3077975741   1.3428676085
C    3.5593375259  -1.1890312267  -0.8250373996
C    3.6128185427   0.4946494795   0.9031073596
C   -1.1164543099   2.7547963083  -0.9951692202
C   -2.1027033520   2.5347337489   1.1803123554
C   -2.8891125993  -2.0764113908   0.6110993778
C    4.2509799500  -0.3017436982  -0.0291070934
C   -1.9239769181   3.2599231270   0.0131720113
C   -4.0682963032  -0.9523649613  -0.6752371031
H   -0.4622993334  -1.3672562079  -1.5192781584
H   -0.3419496839  -2.5947318390  -0.2688980713
H    1.6562507099  -1.9772543132  -1.3179294861
H    1.7380564113   1.0111861958   1.7640825188
H   -1.6284062931   0.7566986999   2.2590557472
H    0.2752696084  -1.8146042891   1.9675928159
H    4.0795688588  -1.8024786295  -1.5489110404
H    4.1780352082   1.1852282830   1.5153427661
H   -0.9616461484   3.2993320283  -1.9176684690
H   -2.7331691399   2.9203911713   1.9704374537
H   -2.5092012193  -2.7126183379   1.3941522153
H   -2.4104145501   4.2172001639  -0.1191447616
H   -4.9290776958  -0.4853577431  -1.1285301490
*