! 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    5.0264640769   1.8661737560   0.0219231348
F   -5.6011069395   1.5552574552  -0.9440356571
F   -3.8846555392   1.2915574592  -2.2624687555
O   -1.3045427665   1.6228792729  -0.7281236942
N   -0.1819737628   0.1084126898   0.5352799389
N   -4.0392897208  -1.5788786859   0.8629864281
N   -4.7280004830  -0.6372033779   0.2269880963
C    4.4462871708  -1.0910032381   0.1276885889
C    3.5121822737  -2.2687012082   0.5029963084
C    2.0624990645  -1.8303420909   0.2317283107
C    3.4921465678   0.0816670197   0.1972629277
C    2.1676124959  -0.3282215098   0.2884532618
C    5.5974725850  -0.9883458056   1.1276669072
C    5.0121889715  -1.2391931915  -1.2878187183
C    1.5111645760  -2.3042050570  -1.1133373611
C    1.1276958853   0.5934330819   0.3746294290
C    3.7574126133   1.4354915057   0.1459349933
C    1.4296710742   1.9530986606   0.3552166620
C    2.7459314179   2.3729266841   0.2269247232
C   -1.3008906438   0.6113682892  -0.0405509917
C   -2.5360182921  -0.1337572606   0.2205350008
C   -3.8367745164   0.2419265942  -0.1746849709
C   -2.7289963803  -1.3256672880   0.8930534732
C   -4.2478631325   1.4417189381  -0.9560185651
C   -4.7173357913  -2.6902156160   1.4950154428
H    3.6216374146  -2.4789677785   1.5692166294
H    3.7775038841  -3.1840464919  -0.0295310924
H    1.4088087236  -2.2168222718   1.0204429226
H    6.1481978330  -1.9306421997   1.1567597640
H    6.3083294762  -0.2058782145   0.8636357889
H    5.2323967982  -0.7891029316   2.1364486137
H    5.6574597474  -2.1178782030  -1.3483255954
H    4.2259910960  -1.3547302274  -2.0346199964
H    5.6103481508  -0.3714259028  -1.5697807641
H    0.4948802675  -1.9452896042  -1.2836440953
H    1.4843852533  -3.3937552196  -1.1525106423
H    2.1232055345  -1.9549913248  -1.9453370328
H    0.6536546611   2.6961847573   0.4560716733
H    2.9800808215   3.4291446592   0.2060842952
H   -0.2606141133  -0.7606639673   1.0397530983
H   -2.0449742409  -2.0022055154   1.3808383932
H   -3.8197303264   2.3699399222  -0.5828890214
H   -5.7108321291  -2.7806779831   1.0685686081
H   -4.1674579643  -3.6089116974   1.3106754224
H   -4.8001011953  -2.5296023074   2.5680047823
*