! 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 "WATER"
end
*xyz 0 1
F    4.9962163920   2.0762073171   0.3811381881
F   -4.1732136442  -2.6293769514   1.6236195132
F   -3.9172383661  -0.8943167143   2.9164148940
O   -0.5680698068  -0.5518248169   1.1123421757
N   -0.3767739615   1.0971453346  -0.4217498118
N   -4.4900355426   0.4291768477  -0.9151235929
N   -4.6985891132  -0.4241893522   0.0784276896
C    4.1534390907  -0.6701930913  -0.4970065153
C    3.1940380580  -1.5177606881  -1.3502197886
C    1.7632054720  -1.1128198522  -0.9675526806
C    3.3079336934   0.5645757294  -0.2682528113
C    1.9524750152   0.3077978556  -0.4865545454
C    4.4270891956  -1.3450410711   0.8512667486
C    5.4671420130  -0.4281057825  -1.2340539509
C    0.8003146668  -1.3127668939  -2.1311792842
C    1.0088451473   1.3042554497  -0.2497647989
C    3.6962116453   1.8199317346   0.1497707337
C    1.4379302017   2.5691565731   0.1455449167
C    2.7819757470   2.8394511082   0.3367022195
C   -1.0847590751   0.1851527008   0.2807340748
C   -2.5206596275   0.1291212020  -0.0228204619
C   -3.5196231867  -0.6229695944   0.6300285637
C   -3.2094222308   0.7895141517  -1.0232968471
C   -3.4086334841  -1.5193253702   1.8129229183
C   -5.5804577831   0.8691730263  -1.7601358342
H    3.3706839462  -2.5883464589  -1.2310091975
H    3.3540439931  -1.2798309424  -2.4070060693
H    1.4202229798  -1.7200153451  -0.1230834922
H    3.5027381290  -1.6040635525   1.3710790606
H    4.9968786794  -2.2657161295   0.7089930967
H    5.0066221880  -0.6958280157   1.5099942934
H    5.3176916250   0.1685633665  -2.1352493416
H    6.2100749564   0.0723565047  -0.6140843938
H    5.8953481050  -1.3845808063  -1.5407855424
H    0.8963192320  -2.3304064469  -2.5136044936
H    1.0280127165  -0.6304689126  -2.9522505398
H   -0.2452257526  -1.1758713761  -1.8618031243
H    0.7093280520   3.3518963356   0.3135670423
H    3.1097612843   3.8225076902   0.6478475317
H   -0.8747715866   1.7962560738  -0.9518496518
H   -2.8824436494   1.4671095465  -1.7961506519
H   -2.3907705202  -1.8292599846   2.0306750835
H   -5.6869197889   1.9495714971  -1.7044988758
H   -5.3999473746   0.5781676067  -2.7918560519
H   -6.4960424701   0.4031331033  -1.4129101816
*