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

caor   2739 Calcium oxide (Geo)

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    #  Species Formula
  2729 Calcium, atomCa
  2730 Calcium hydride (CaH) (Geo)HCa
  2731 Calcium hydrideHCa
  2732 Calcium monoamide (Geo)H2NCa
  2733 Calcium cyanide (Geo)C2N2Ca
  2734 Calcium isocyanide (Geo)C2N2Ca
  2735 Ca(II)N6(2+) (QAKGAL) (Geo)H18N6Ca
  2736 Calcium trisethylenediamineC6H24N6Ca
  2737 Calcium trisethylenediamine (Geo)C6H24N6Ca
  2738 Calcium oxideOCa
  2739 Calcium oxide (Geo) OCa
  2740 Calcium monohydroxideHOCa
  2741 Calcium monohydroxide (Geo)HOCa
  2742 Calcium hydroxideH2O2Ca
  2743 Calcium hydroxide (Geo)H2O2Ca
  2744 Ca(II)(Cp)2O2 (TEYYIF) (Geo)C16H22O2Ca
  2745 Ca(II)(Cp)2O2 (TEYYIF)C16H22O2Ca
  2746 Ca(II)(Cp)2O2 (SEHPEA) (Geo)C16H24O2Ca
  2747 Ca(II)(Cp)2O2 (SEHPEA)C16H24O2Ca
  2748 Ca(II)O2 (TASFOI) (Geo)C8H10O4Ca
  2749 Ca(II)O2 (TASFOI)C8H10O4Ca


REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 OPEN(2,2) TRIPLET GEO-OK PM7
Calcium oxide
 <Ca-O> GR=JANAF86 GWT=0.5
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.82200000 +1    0.0000000 +0    0.0000000 +0     1     0     0