! 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    3.7911466776   2.0304313622   1.4171833065
F   -2.4237610532  -2.4092717584  -1.3197222713
F   -4.3701706731  -1.4644466693  -1.0298192643
O   -2.5262590094   0.4471124802  -2.4636068827
N   -0.4661246826   1.2142087764  -1.9954924482
N   -1.8690489000   0.3420603631   1.9696936257
N   -2.5666461202  -0.7339382583   1.6290519320
C    2.8356555022  -0.7814676717   0.9374248160
C    2.2937306361  -1.8076406349  -0.0725532675
C    1.0562034984  -1.1844901509  -0.7349399397
C    2.3809740800   0.5114085565   0.2961910943
C    1.3327890882   0.2954831799  -0.5987985016
C    2.1290030748  -0.9239752651   2.2904489322
C    4.3425760866  -0.9322775261   1.1147431199
C    0.8587072284  -1.7015104454  -2.1543699079
C    0.6758489977   1.3778783216  -1.1781264104
C    2.7957936846   1.8033705765   0.5426000612
C    1.1424961917   2.6671917599  -0.9361413732
C    2.2130041817   2.8879231071  -0.0861105053
C   -1.6478355568   0.6616922375  -1.6378673879
C   -1.8498420338   0.3391299714  -0.2150208892
C   -2.5790886913  -0.7464069333   0.3125367911
C   -1.4087639249   1.0117043472   0.9064032101
C   -3.2496167135  -1.8759134459  -0.3764349795
C   -1.6554573388   0.6824983195   3.3594413701
H    2.0766639616  -2.7704122547   0.3935214018
H    3.0526922924  -1.9849861619  -0.8415809668
H    0.1647665059  -1.4344108685  -0.1490228955
H    2.4167673423  -0.1248510479   2.9757010685
H    1.0425340198  -0.8919534031   2.1834382893
H    2.3872354013  -1.8749729706   2.7605653561
H    4.8795484096  -0.7094385248   0.1914006989
H    4.7383260563  -0.2916182882   1.9018281273
H    4.5771839892  -1.9622192941   1.3908473027
H   -0.0604892852  -1.3525832890  -2.6188503296
H    0.8181338421  -2.7917099659  -2.1454330723
H    1.6917297416  -1.4075884175  -2.7949187390
H    0.6469965362   3.5105334137  -1.3990004818
H    2.5681192226   3.8910952180   0.1089826210
H   -0.4029714827   1.5270427666  -2.9553470757
H   -0.8335511774   1.9162344449   1.0189410238
H   -3.5302219973  -2.6622184390   0.3248032152
H   -1.9334467673  -0.1682780934   3.9723467092
H   -0.6068071437   0.9135068991   3.5300543981
H   -2.2597191979   1.5413765861   3.6436186515
*