Accuracy

kalf4r   2703 KAlF4 (Geo)

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    #  Species Formula
  2693 K(I)O6N2(+) (GAZGIX)C18H36N2O6K
  2694 K(I)O7 (LEGXOK) (Geo)C20H31O7K
  2695 K(I)O7 (LEGXOK)C20H31O7K
  2696 Nonactin-potassium thiocyanate (NONKCS) (Geo)C40H64O12K
  2697 Potassium fluoride (Geo)FK
  2698 Potassium fluorideFK
  2699 K(+)(H2O)5.FH10O5FK
  2700 Potassium trifluoroberyllateBeF3K
  2701 KBF4 (Geo)BF4K
  2702 Neon potassium cation (Geo)NeK
  2703 KAlF4 (Geo) F4AlK
  2704 KHSO4 (corrected for PW91D error in H2SO4)HO4SK
  2705 K(I)O5N3 (POZTCK) (Geo)C17H32N3O5SK
  2706 K(I)O5N3 (POZTCK)C17H32N3O5SK
  2707 KHSO4.2H2O (corrected for PW91D error in H2SO4)H5O6SK
  2708 KHSO4.2H2O (Geo)H5O6SK
  2709 K(I)O6S (RUXVAH) (Geo)C16H33O6SK
  2710 K(I)O6S (RUXVAH)C16H33O6SK
  2711 Potassium chloride (Geo)ClK
  2712 Potassium chlorideClK
  2713 K(+)(H2O)5.Cl (Geo)H10O5ClK


REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
  
 PM7
KAlF4
 <K-F(br)> <F-Al(br)> <> <> <F(Br)-Al-F(t)> <> <F(Br)-Al-F(Br)> GR=CHIK1986
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     2.51300000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Al     1.69200000 +1   98.8921020 +1    0.0000000 +0     2     1     0
  F     1.59221578 +1  108.8000000 +1  106.9046085 +1     3     2     1
  F     2.51300000 +0  102.9000000 +1   -0.8837650 +1     3     2     1
  F     1.59110017 +1  112.1176895 +1 -111.9343729 +1     3     2     1