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

kbf4r   2702 KBF4 (Geo)

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    #  Species Formula
  2692 K(I)O6N (YAKWOX)C16H28NO6K
  2693 K(I)O6N2(+) (GAZGIX) (Geo)C18H36N2O6K
  2694 K(I)O6N2(+) (GAZGIX)C18H36N2O6K
  2695 K(I)O7 (LEGXOK) (Geo)C20H31O7K
  2696 K(I)O7 (LEGXOK)C20H31O7K
  2697 Nonactin-potassium thiocyanate (NONKCS) (Geo)C40H64O12K
  2698 Potassium fluoride (Geo)FK
  2699 Potassium fluorideFK
  2700 K(+)(H2O)5.FH10O5FK
  2701 Potassium trifluoroberyllateBeF3K
  2702 KBF4 (Geo) BF4K
  2703 Neon potassium cation (Geo)NeK
  2704 KAlF4 (Geo)F4AlK
  2705 KHSO4 (corrected for PW91D error in H2SO4)HO4SK
  2706 K(I)O5N3 (POZTCK) (Geo)C17H32N3O5SK
  2707 K(I)O5N3 (POZTCK)C17H32N3O5SK
  2708 KHSO4.2H2O (corrected for PW91D error in H2SO4)H5O6SK
  2709 KHSO4.2H2O (Geo)H5O6SK
  2710 K(I)O6S (RUXVAH) (Geo)C16H33O6SK
  2711 K(I)O6S (RUXVAH)C16H33O6SK
  2712 Potassium chloride (Geo)ClK


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
KBF4
 <B-F> <B-F><> <><><> <><><> <K-F><B-F-K> GR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.44921800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.37305700 +1  114.8152925 +1    0.0000000 +0     1     2     0
  F     1.38764700 +1  102.6422893 +1  126.3077243 +1     1     2     3
  F     1.38808134 +1  102.6181381 +1  107.6220999 +1     1     2     4
  K     2.64972600 +1   83.5366990 +1  179.8881881 +1     2     1     3