Accuracy

yor   4558 Yttrium(II) oxide (Geo)

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    #  Species Formula
  4548 Y(Cp)2CN (CIGZEX) (Geo)C19H22NY
  4549 Y(Cp)2CN (CIGZEX)C19H22NY
  4550 Y(III)N3 (FAMVEV) (Geo)C27H54N3Y
  4551 Y(III)N3 (FAMVEV)C27H54N3Y
  4552 Y(II)(NH3)6H18N6Y
  4553 Y(II)(NH3)6 (Geo)H18N6Y
  4554 Y(III)N8(3+) (ROGRUA) (Geo)C8H32N8Y
  4555 Y(III)N8(3+) (ROGRUA)C8H32N8Y
  4556 Y(III)N9(3+) (XAWXIC) (Geo)C45H33N9Y
  4557 Y(III)N9(3+) (XAWXIC)C45H33N9Y
  4558 Yttrium(II) oxide (Geo) OY
  4559 Yttrium(II) oxideOY
  4560 Yttrium oxide, anionOY
  4561 Y(Cp)3O (BACZOU) (Geo)C19H23OY
  4562 Y(Cp)3O (BACZOU)C19H23OY
  4563 Y(III)(Cp)2O2(+) (PEZDAZ) (Geo)C16H22O2Y
  4564 Y(III)(Cp)2O2(+) (PEZDAZ)C16H22O2Y
  4565 Yttrium(III) hexaquo (Geo)H12O6Y
  4566 Y(II)(H2O)6H12O6Y
  4567 Y(II)(H2O)6 (Geo)H12O6Y
  4568 Y(III)O8(3+) (BEJDOJ) (Geo)H16O8Y


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.
  
 SHIFT=20 UHF PM7
Yttrium(II) oxide
 <Y-O> GR=PW91D
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  Y     1.84600000 +1    0.0000000 +0    0.0000000 +0     1     0     0