Accuracy

scandium monoxide   2814 Scandium monoxide

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  2804 Sc(III)C11 (BEBRUW) (Geo)C25H41Sc
  2805 Scandium(II) tetracyanide 2EC4N4Sc
  2806 Sc(III)N4C (LAXCES a)C21H15N4Sc
  2807 Sc(III)N4C (LAXCES) (Geo)C37H47N4Sc
  2808 Sc(III)N4Cp (SIMFAV) (Geo)C41H49N4Sc
  2809 Sc(II)(NH3)6H18N6Sc
  2810 Sc(II)(NH3)6 (Geo)H18N6Sc
  2811 Sc(III)(CN)6C6N6Sc
  2812 Sc(III)(CN)6 (Geo)C6N6Sc
  2813 Sc(II)(CN)6 2T2gC6N6Sc
  2814 Scandium monoxide OSc
  2815 Scandium monoxide (Geo)OSc
  2816 Sc(III)(H2O)6 (Geo)H12O6Sc
  2817 Sc(II)(H2O)6H12O6Sc
  2818 Sc(II)(H2O)6 (Geo)H12O6Sc
  2819 Sc(III)(Acac)3 (ACACSC) (Geo)C15H21O6Sc
  2820 Sc(III)(Acac)3 (ACACSC)C15H21O6Sc
  2821 Sc(III)O6 (HTROPS01) (Geo)C28H21O8Sc
  2822 Sc(III)O6 (HTROPS01)C28H21O8Sc
  2823 Sc(III)O4N4(-) (HYZCSC) (Geo)C4H12N8O8Sc
  2824 Sc(III)O6(3+) (NINMIG) (Geo)H18O9Sc


ΔHf: -44.8 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 RELSCF=0.1 MECI FIELD=(0.01, 0.02, 0.03) PM7
Scandium monoxide
 H=-44.81 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sc     1.65975831 +1    0.0000000 +0    0.0000000 +0     1     0     0