! 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   -4.3077801581  -2.0793121052   1.0371628693
F   -3.7187949976  -1.9907690066  -1.0218695858
F   -2.2249740834  -1.9881760519   0.5299674062
O    4.4651557176   0.6475644357   1.0563659867
O   -1.2928044706  -0.4905593204  -1.8559096611
N   -0.0440931979   0.4225567983  -0.1769964768
C    5.8768450005   0.4625470412   0.8878760954
C   -2.4069325601   0.7582007235  -0.1790881803
C    1.2646462793   0.0417677228  -0.5004922426
C    3.5969639276   0.1651305679   0.1442831279
C   -3.4856035165  -0.0186498747   0.2540023677
C    2.2609937620   0.4939861792   0.3585121148
C   -1.1966808595   0.1516789104  -0.8249189298
C    6.4258266003   1.4071031632  -0.1655167959
C    6.4976823703   0.7086011675   2.2464130920
C    1.6029706112  -0.7514356172  -1.5986706805
C    3.9427161980  -0.6266797996  -0.9491609194
C   -2.4819200045   2.1419308698  -0.0851047782
C   -4.6186835789   0.5995471075   0.7640983909
C    2.9367502795  -1.0682683237  -1.7959314093
C   -3.4341093742  -1.5175277507   0.1963719162
C   -3.6209993081   2.7549575763   0.4167622234
C   -4.6894641375   1.9830585315   0.8385918110
H    6.0746269395  -0.5746430933   0.5982510552
H    2.0035563597   1.1087095242   1.2137353602
H   -0.1345875321   0.9550327151   0.6766892721
H    7.4966508813   1.2410503941  -0.2857582502
H    5.9644842107   1.2631333972  -1.1427861156
H    6.2784497229   2.4471807618   0.1299151719
H    6.1100785907   0.0174929683   2.9952233460
H    6.3152446776   1.7289608294   2.5875919660
H    7.5761904740   0.5641704268   2.1890843397
H    0.8605707475  -1.1196538043  -2.2852961963
H    4.9650629073  -0.9078281659  -1.1564200406
H   -1.6532162301   2.7506225835  -0.4225680701
H   -5.4573366059   0.0149695917   1.1150092702
H    3.2042767384  -1.6839200178  -2.6446085048
H   -3.6693571210   3.8335236816   0.4755253194
H   -5.5798438375   2.4511627829   1.2345647164
*