Accuracy

bhf2   1536 BHF2

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    #  Species Formula
  1526 FluorodinitrophenylmethaneC7H5N2O4F
  1527 Li(+)(H2O)5.FH10LiO5F
  1528 Li(+)(H2O)5.F (Geo)H10LiO5F
  1529 Fluorine (Geo)F2
  1530 FluorineF2
  1531 Hydrogen fluoride dimer (Geo)H2F2
  1532 Lithium fluoride dimer (Geo)Li2F2
  1533 Lithium fluoride, dimerLi2F2
  1534 Beryllium difluoride (Geo)BeF2
  1535 Beryllium difluorideBeF2
  1536 BHF2 HBF2
  1537 HBF2 (Geo)HBF2
  1538 Difluoroborane (1)HBF2
  1539 Difluoromethylene (Geo)CF2
  1540 DifluoromethyleneCF2
  1541 Difluoromethyl, cationHCF2
  1542 Difluoromethane, cationCH2F2
  1543 DifluoromethaneCH2F2
  1544 DifluoromethylboraneH3BCF2
  1545 MethyldifluoroboraneH3BCF2
  1546 DifluoroacetyleneC2F2


ΔHf: -176.0 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
Dipole: 0.9 Debye,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
BHF2
 H=-176.0 HR=PW91D D=0.9 DR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.32059040 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.32140175 +1  112.6578137 +1    0.0000000 +0     1     2     0
  H     1.19241875 +1  123.8166836 +1  180.0000000 +1     1     2     3