Accuracy

yttrium(ii) sulfide   4593 Yttrium(II) sulfide

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    #  Species Formula
  4583 Yttrium(III) tetrafluoride, anionF4Y
  4584 Yttrium(III) hexafluorideF6Y
  4585 Y(III)O6 (HEDJOP) (Geo)C18H23O6F18Y
  4586 Y(III)O8 (COQDUH) (Geo)C15H7O8F18Y
  4587 Y(III)O8 (COQDUH)C15H7O8F18Y
  4588 Y(III)O8 (ERUYAR) (Geo)C19H13O8F18Y
  4589 Y(III)O8 (ERUYAR)C19H13O8F18Y
  4590 Y(III)O8(-) (CYSFAC10) (Geo)C20H4O8F24Y
  4591 Y(III)O8(-) (CYSFAC10)C20H4O8F24Y
  4592 Yttrium(II) sulfide (Geo)SY
  4593 Yttrium(II) sulfide SY
  4594 YO6N3 (BUTKEG) (Geo)C23H24N3O6S3Y
  4595 YO6N3 (BUTKEG)C23H24N3O6S3Y
  4596 Y(III)O9 (CEXFAM) (Geo)C6H18N3O12S3Y
  4597 Y(III)O9 (CEXFAM)C6H18N3O12S3Y
  4598 Y(III)N6(3-) (KAKQES) (Geo)C6N6S6Y
  4599 Y(III)N6(3-) (KAKQES)C6N6S6Y
  4600 Yttrium(I) monochloride (Geo)ClY
  4601 Yttrium(I) chlorideClY
  4602 Yttrium(III) oxide chloride (Geo)OClY
  4603 Yttrium(III) oxide chlorideOClY


ΔHf: 14.7 kcal/mol,     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.
Dipole: 5.7 Debye,     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.
I.P.: 4.1 eV,     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.
  
 UHF FIELD=(0.01,0.01,0.03) PM7
Yttrium(II) sulfide
 DR=PW91D I=4.092 D=5.678 IR=PW91D H=14.7 HR=PW91D
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  Y     2.23672602 +1    0.0000000 +0    0.0000000 +0     1     0     0