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

can2c2r   2734 Calcium isocyanide (Geo)

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    #  Species Formula
  2724 Potassium sulfateO4SK2
  2725 Potassium chloride, dimer (Geo)Cl2K2
  2726 Potassium chloride, dimerCl2K2
  2727 Calcium, dicationCa
  2728 Calcium, cationCa
  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


REF: J. Kapp and P. v. R. Schleyer, Inorg. Chem., 35, 2247 (1996).
  
 PM7
Calcium isocyanide
 <Ca-N> GR=KS1996
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.38500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.07735984 +1  180.0000000 +0    0.0000000 +0     1     2     0
  C     1.17816367 +1  179.9520978 +1  110.9513478 +1     2     1     3
  C     1.18062646 +1  179.9571339 +1  -79.1362381 +1     3     1     2