! 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    0.3247927726   1.7175164738  -0.2083236602
F    0.7741757980   1.1763115094   1.8549745942
F   -2.6394801736   1.8421981954  -2.6798894612
F   -2.9949592888   2.1622707837   1.9574927223
F   -3.2196901493   3.2792536947  -0.4801987088
O    2.6907241053  -2.5174272318   0.1091362492
N    0.7257237529  -1.3839316133  -0.0713220713
N    4.5737909226   1.1037472900  -0.2142851584
N    3.6011149239   1.9141094742   0.1789810037
C   -1.5779032926  -2.0419392896   0.0173916760
C   -0.2222002368  -2.4113938576   0.0304191835
C    2.8245022154  -0.1929832783   0.0009335057
C   -1.9951344856  -0.6228212289  -0.1159108632
C    2.5323505181   1.1563937879   0.3105558633
C    2.0767953337  -1.4631313622   0.0248781689
C    4.1661814965  -0.1622914332  -0.3255109502
C   -2.5594883588  -3.0163784590   0.1401073978
C    0.1072312642  -3.7627275425   0.1544127508
C   -2.2907990175   0.1208196878   1.0218671387
C   -2.1068442794  -0.0452639280  -1.3773942195
C   -2.2290069523  -4.3559327446   0.2717151943
C    1.2845181982   1.8113423527   0.7663492853
C   -0.8920922348  -4.7166507329   0.2750706727
C    5.9098784925   1.6052119333  -0.4580729857
C   -2.5194807541   1.2661772677  -1.4835588747
C   -2.7028289749   1.4287156784   0.8832298815
C   -2.8223056116   2.0145855423  -0.3623294341
H    0.3385884341  -0.4681739734  -0.2388407020
H    4.8334942547  -0.9509307156  -0.6326101302
H   -3.5986453127  -2.7136223148   0.1313572133
H    1.1346832000  -4.0819601216   0.1578482162
H   -2.2056148947  -0.3118684292   2.0095266588
H   -1.8816178879  -0.6092343778  -2.2729205705
H    1.4320532535   2.8649319731   1.0001915302
H   -3.0051231437  -5.1027193724   0.3671633502
H   -0.6095358136  -5.7565503146   0.3716572124
H    6.6158302053   1.1474155215   0.2303903812
H    6.2118397861   1.3891416806  -1.4796679257
H    5.9091182328   2.6791209122  -0.3064976248
*