! 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   -0.2042188526   1.7376131362  -1.8797302556
F    4.5827281571  -1.4609564452  -0.3274845718
O   -1.0677126321  -0.0380387144   1.8690269713
N   -1.7465152982  -1.8228512387  -0.3543131184
N   -1.7063944378  -2.4873319776   0.8039300645
N   -1.6841521298  -3.9198393605  -0.9058420832
C   -0.7258976930   0.2555949886   0.5397731595
C   -1.7850198076  -0.3754358229  -0.3904299673
C    0.6987339847  -0.2294405167   0.2555425042
C   -0.7876532590   1.7772912874   0.4096923276
C    1.1148779779  -0.7209875710  -0.9778377410
C    1.6360559675  -0.1587714222   1.2852825113
C   -0.5157150620   2.4450431130  -0.7785827570
C   -1.1056165488   2.5782034665   1.5061010440
C    2.4221507544  -1.1410109586  -1.1828972906
C    2.9466774755  -0.5674095080   1.0988091574
C   -0.5519525053   3.8189549619  -0.9046878381
C   -1.1441672325   3.9618022908   1.4103727538
C   -1.7335622589  -2.6908506824  -1.3648837361
C    3.3172903032  -1.0561840614  -0.1380226380
C   -0.8683813786   4.5863983196   0.2045618555
C   -1.6652683360  -3.7401750320   0.4258116215
H   -2.7695160359  -0.0347329933  -0.0644883468
H   -1.6700485350  -0.0807291901  -1.4297659852
H    0.4361075540  -0.7949451083  -1.8151244289
H    1.3483170280   0.2185537101   2.2571645655
H   -1.3252514437   2.1172511981   2.4572682566
H   -1.1919492764  -1.0006237152   1.9371764620
H    2.7316774541  -1.5281377046  -2.1447527761
H    3.6646880288  -0.5082642949   1.9063051875
H   -0.3335395136   4.2758112311  -1.8612150841
H   -1.3922309784   4.5489202835   2.2842497450
H   -1.7616913949  -2.3880932161  -2.4001692799
H   -0.8986362230   5.6644543079   0.1207414056
H   -1.6214719626  -4.5488973967   1.1383066679
*