Accuracy

bh2f   1486 BH2F

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    #  Species Formula
  1476 Fluoride, anionF
  1477 Hydrogen fluoride (Geo)HF
  1478 Hydrogen fluorideHF
  1479 Helium fluoride anion (Geo)HeF
  1480 Lithium fluoride (Geo)LiF
  1481 Lithium fluorideLiF
  1482 Beryllium fluoride (Geo)BeF
  1483 Beryllium fluorideBeF
  1484 BFBF
  1485 BF (Geo)BF
  1486 BH2F H2BF
  1487 BH2F (Geo)H2BF
  1488 Fluoromethylidyne (Geo)CF
  1489 FluoromethylidyneCF
  1490 Fluoromethylene (Geo)HCF
  1491 Fluoromethyl, cationCH2F
  1492 Fluoromethyl, radicalCH2F
  1493 Fluoromethane (Geo)CH3F
  1494 FluoromethaneCH3F
  1495 Fluoroacetylene (Geo)HC2F
  1496 FluoroacetyleneHC2F


ΔHf: -73.2 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: 0.8 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
BH2F
 H=-73.2 HR=PW91D D=0.8 DR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.18631794 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.18424702 +1  115.1463661 +1    0.0000000 +0     1     2     0
  F     1.32637001 +1  122.4167772 +1  179.9994888 +1     1     2     3