Accuracy

lif.h2o   1511 LiF.H2O

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    #  Species Formula
  1501 Fluoroallene (Geo)C3H3F
  1502 2-FluoropropaneC3H7F
  1503 FluorobenzeneC6H5F
  1504 FluorocyclohexaneC6H11F
  1505 1-FluorononaneC9H19F
  1506 Cyanogen fluorideCNF
  1507 Cyanogen fluoride (Geo)CNF
  1508 Fluorine oxideOF
  1509 Hypofluorous acidHOF
  1510 Lithium hypofluoriteLiOF
  1511 LiF.H2O H2LiOF
  1512 LiF.H2O (Geo)H2LiOF
  1513 FBOBOF
  1514 HCOFHCOF
  1515 Acetyl fluorideC2H3OF
  1516 Nitrosyl fluoride (Geo)NOF
  1517 Nitrosyl fluorideNOF
  1518 Fluorine dioxideO2F
  1519 Fluorodihydroxyborane (Geo)H2BO2F
  1520 FluorodihydroxyboraneH2BO2F
  1521 p-Fluorobenzoic acidC7H5O2F


ΔHf: -147.8 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.
  
 PM7
LiF.H2O
 H=-147.8 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.43947732 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.42797454 +1  167.5379444 +1    0.0000000 +0     1     2     0
  H     0.96035044 +1  126.4205851 +1  -75.9432581 +1     2     1     3
  H     0.96022515 +1  127.3403621 +1  166.6652635 +1     2     1     4