PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

lif.h2or   1514 LiF.H2O (Geo)

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    #  Species Formula
  1504 2-FluoropropaneC3H7F
  1505 FluorobenzeneC6H5F
  1506 FluorocyclohexaneC6H11F
  1507 1-FluorononaneC9H19F
  1508 Cyanogen fluorideCNF
  1509 Cyanogen fluoride (Geo)CNF
  1510 Fluorine oxideOF
  1511 Hypofluorous acidHOF
  1512 Lithium hypofluoriteLiOF
  1513 LiF.H2OH2LiOF
  1514 LiF.H2O (Geo) H2LiOF
  1515 FBOBOF
  1516 HCOFHCOF
  1517 Acetyl fluorideC2H3OF
  1518 Nitrosyl fluoride (Geo)NOF
  1519 Nitrosyl fluorideNOF
  1520 Fluorine dioxideO2F
  1521 Fluorodihydroxyborane (Geo)H2BO2F
  1522 FluorodihydroxyboraneH2BO2F
  1523 p-Fluorobenzoic acidC7H5O2F
  1524 Fluorine nitriteNO2F


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
 <Li-O> <Li-F> GR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.99026600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.65869700 +1  164.6982960 +1    0.0000000 +0     1     2     0
  H     0.96466026 +1  126.3449884 +1  -76.2865506 +1     2     1     3
  H     0.96450349 +1  126.7843168 +1  162.2005631 +1     2     1     4