Accuracy

k2sr   2721 Potassium sulfide (Geo)

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    #  Species Formula
  2711 Potassium chloride (Geo)ClK
  2712 Potassium chlorideClK
  2713 K(+)(H2O)5.Cl (Geo)H10O5ClK
  2714 K(+)(H2O)5.ClH10O5ClK
  2715 Argon potassium cation (Geo)ArK
  2716 Potassium, dimer (Geo)K2
  2717 Potassium, dimerK2
  2718 K2O (Geo)OK2
  2719 Potassium fluoride, dimer (Geo)F2K2
  2720 Potassium fluoride, dimerF2K2
  2721 Potassium sulfide (Geo) SK2
  2722 Potassium sulfideSK2
  2723 Potassium sulfateO4SK2
  2724 Potassium chloride, dimer (Geo)Cl2K2
  2725 Potassium chloride, dimerCl2K2
  2726 Calcium, dicationCa
  2727 Calcium, cationCa
  2728 Calcium, atomCa
  2729 Calcium hydride (CaH) (Geo)HCa
  2730 Calcium hydrideHCa
  2731 Calcium monoamide (Geo)H2NCa


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
Potassium sulfide
 <K-S> <><K-S-K> GR=PW91D
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  K     2.86432400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  K     2.85556624 +1  130.6091810 +1    0.0000000 +0     1     2     0