Accuracy

li2f2r   1532 Lithium fluoride dimer (Geo)

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    #  Species Formula
  1522 Fluorine nitriteNO2F
  1523 B3O3H2FH2B3O3F
  1524 Fluorine nitrateNO3F
  1525 FluorodinitromethaneHCN2O4F
  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 BHF2HBF2
  1537 HBF2 (Geo)HBF2
  1538 Difluoroborane (1)HBF2
  1539 Difluoromethylene (Geo)CF2
  1540 DifluoromethyleneCF2
  1541 Difluoromethyl, cationHCF2
  1542 Difluoromethane, cationCH2F2


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.
  
 SYMMETRY GEO-OK PM7
Lithium fluoride dimer
 <Li-F> <F-Li-F> GR=PW91D
 
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Li     1.78441700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.78534800 +1   86.2743050 +1    0.0000000 +0     2     1     0
 Li     1.61051418 +1   87.6053223 +1    0.0124710 +1     1     2     3