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

scandium(ii) tetracyanide 2e   2806 Scandium(II) tetracyanide 2E

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    #  Species Formula
  2796 Scandium, atomSc
  2797 Scandium, anionSc
  2798 Trimethyl scandium (Geo)C3H9Sc
  2799 Bicyclopentadienyl scandiumC10H10Sc
  2800 Sc(III)Cp2Me (FEDSUC a)C11H13Sc
  2801 Sc(III)C11 (BEBRUW a)C12H15Sc
  2802 Tricyclopentadienyl scandium (Geo)C15H15Sc
  2803 Tricyclopentadienyl Scandium(III)C15H15Sc
  2804 Sc(III)Cp2Me (FEDSUC) (Geo)C21H33Sc
  2805 Sc(III)C11 (BEBRUW) (Geo)C25H41Sc
  2806 Scandium(II) tetracyanide 2E C4N4Sc
  2807 Sc(III)N4C (LAXCES a)C21H15N4Sc
  2808 Sc(III)N4C (LAXCES) (Geo)C37H47N4Sc
  2809 Sc(III)N4Cp (SIMFAV) (Geo)C41H49N4Sc
  2810 Sc(II)(NH3)6H18N6Sc
  2811 Sc(II)(NH3)6 (Geo)H18N6Sc
  2812 Sc(III)(CN)6C6N6Sc
  2813 Sc(III)(CN)6 (Geo)C6N6Sc
  2814 Sc(II)(CN)6 2T2gC6N6Sc
  2815 Scandium monoxideOSc
  2816 Scandium monoxide (Geo)OSc


For electronic state 1,2,E
ΔHf: 0.0 kcal/mol,     REF: Presumed ground state.
  
 SYMMETRY CHARGE=-2 OPEN(1,5) MECI ALLVECS PM7
Scandium(II) tetracyanide 2E
 ROOT=1,2,E H=0 HR=GS
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sc     2.40945395 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.40945395 +0  109.4712210 +0    0.0000000 +0     2     1     0
  C     2.40945395 +0  109.4712210 +0  120.0000000 +0     2     1     3
  C     2.40945395 +0  109.4712210 +0 -120.0000000 +0     2     1     3
  N     1.15586485 +1  180.0000000 +0    0.0000000 +0     1     2     3
  N     1.15586485 +0  180.0000000 +0    0.0000000 +0     3     2     1
  N     1.15586485 +0  180.0000000 +0    0.0000000 +0     4     2     3
  N     1.15586485 +0  180.0000000 +0    0.0000000 +0     5     2     3