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

ca(plusplus).2(h2s)r   2781 Ca(++)(H2S)2 (Geo)

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    #  Species Formula
  2771 Calcium monofluoride (Geo)FCa
  2772 Calcium monofluorideFCa
  2773 Ca(++)(H2O)5.FH10O5FCa
  2774 Ca(++)(H2O)5.F (Geo)H10O5FCa
  2775 Calcium difluoride (Geo)F2Ca
  2776 Calcium difluorideF2Ca
  2777 Calcium sulfideSCa
  2778 Calcium sulfide (Geo)SCa
  2779 CaSO4.(H2O)2 (Geo)H4O6SCa
  2780 Ca(++)(H2S)2H4S2Ca
  2781 Ca(++)(H2S)2 (Geo) H4S2Ca
  2782 Ca(II)N6O (BUKZUC) (Geo)C22H18N6OS2Ca
  2783 Ca(II)N6O (BUKZUC)C22H18N6OS2Ca
  2784 Calcium monochloride (Geo)ClCa
  2785 Calcium monochlorideClCa
  2786 Calcium hydroxide fluorideHOClCa
  2787 Ca(++)(H2O)5.ClH10O5ClCa
  2788 Ca(++)(H2O)5.Cl (Geo)H10O5ClCa
  2789 Calcium dichloride (Geo)Cl2Ca
  2790 Calcium dichlorideCl2Ca
  2791 Ca(II)Cl4O2(2-) (DILXOL) (Geo)H4O2Cl4Ca


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.
  
 CHARGE=2 PM7
Ca(++)(H2S)2
 <Ca-S> GR=PW91D
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.85423800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.45509189 +1  177.0829967 +1    0.0000000 +0     1     2     0
  H     1.35089967 +1  110.6222388 +1   94.9093862 +1     2     1     3
  H     1.35034216 +1  110.7053308 +1  107.8832361 +1     2     1     4
  H     1.35714504 +1  113.2515494 +1  159.0897979 +1     3     1     4
  H     1.35649435 +1  113.3126348 +1  111.3361767 +1     3     1     6