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

ysr   4594 Yttrium(II) sulfide (Geo)

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    #  Species Formula
  4584 Yttrium(III) trifluorideF3Y
  4585 Yttrium(III) tetrafluoride, anionF4Y
  4586 Yttrium(III) hexafluorideF6Y
  4587 Y(III)O6 (HEDJOP) (Geo)C18H23O6F18Y
  4588 Y(III)O8 (COQDUH) (Geo)C15H7O8F18Y
  4589 Y(III)O8 (COQDUH)C15H7O8F18Y
  4590 Y(III)O8 (ERUYAR) (Geo)C19H13O8F18Y
  4591 Y(III)O8 (ERUYAR)C19H13O8F18Y
  4592 Y(III)O8(-) (CYSFAC10) (Geo)C20H4O8F24Y
  4593 Y(III)O8(-) (CYSFAC10)C20H4O8F24Y
  4594 Yttrium(II) sulfide (Geo) SY
  4595 Yttrium(II) sulfideSY
  4596 YO6N3 (BUTKEG) (Geo)C23H24N3O6S3Y
  4597 YO6N3 (BUTKEG)C23H24N3O6S3Y
  4598 Y(III)O9 (CEXFAM) (Geo)C6H18N3O12S3Y
  4599 Y(III)O9 (CEXFAM)C6H18N3O12S3Y
  4600 Y(III)N6(3-) (KAKQES) (Geo)C6N6S6Y
  4601 Y(III)N6(3-) (KAKQES)C6N6S6Y
  4602 Yttrium(I) monochloride (Geo)ClY
  4603 Yttrium(I) chlorideClY
  4604 Yttrium(III) oxide chloride (Geo)OClY


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 PM7
Yttrium(II) sulfide
 <Y-S> GR=PW91D
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  Y     2.30200000 +1    0.0000000 +0    0.0000000 +0     1     0     0