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

Y(III)O8(3plus) (BEJDOJ)   4571 Y(III)O8(3+) (BEJDOJ)

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    #  Species Formula
  4561 Yttrium(II) oxideOY
  4562 Yttrium oxide, anionOY
  4563 Y(Cp)3O (BACZOU) (Geo)C19H23OY
  4564 Y(Cp)3O (BACZOU)C19H23OY
  4565 Y(III)(Cp)2O2(+) (PEZDAZ) (Geo)C16H22O2Y
  4566 Y(III)(Cp)2O2(+) (PEZDAZ)C16H22O2Y
  4567 Yttrium(III) hexaquo (Geo)H12O6Y
  4568 Y(II)(H2O)6H12O6Y
  4569 Y(II)(H2O)6 (Geo)H12O6Y
  4570 Y(III)O8(3+) (BEJDOJ) (Geo)H16O8Y
  4571 Y(III)O8(3+) (BEJDOJ) H16O8Y
  4572 Y(III)O8 (YACACT) (Geo)C15H25O8Y
  4573 Y(III)O8 (YACACT)C15H25O8Y
  4574 Y(III)O9(3+) (AYETHS01) (Geo)H18O9Y
  4575 Y(III)O9(3+) (AYETHS01)H18O9Y
  4576 Y(III)O9 (BONTUT) (Geo)H6N3O12Y
  4577 Y(III)O9 (BONTUT)H6N3O12Y
  4578 Y(III)O9 (VARQOU) (Geo)C12H15O15Y
  4579 Y(III)O9 (VARQOU)C12H15O15Y
  4580 Y(III)O9 (AFARII) (Geo)C18H15N6O18Y
  4581 Y(III)O9 (AFARII)C18H15N6O18Y


ΔHf: 78.9 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.
  
 CHARGE=3 PM7
Y(III)O8(3+) (BEJDOJ)
 H=78.9 HR=PW91D
  Y     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.22372738 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.28685509 +1   97.4791801 +1    0.0000000 +0     1     2     0
  O     2.21349011 +1   75.6312915 +1   91.2781299 +1     1     2     3
  O     4.03132462 +1   38.2597741 +1   -0.0120272 +1     1     2     4
  O     2.21650169 +1  101.9977376 +1   99.4983336 +1     1     2     5
  O     4.03341397 +1  139.2327000 +1   -3.9473044 +1     1     2     6
  O     2.22788452 +1  175.0045468 +1  -57.5155182 +1     1     2     7
  O     2.28001740 +1   84.2907221 +1 -170.2099085 +1     1     2     5
  H     1.00759050 +1  121.8469124 +1  -91.1147632 +1     2     1     3
  H     0.97366781 +1  129.6988149 +1  170.8182729 +1     2     1    10
  H     0.98143399 +1  124.7182200 +1  -34.1637197 +1     3     1     2
  H     0.98181072 +1  124.8864355 +1  151.3042476 +1     3     1    12
  H     1.01782016 +1  122.0013378 +1   -0.1628352 +1     4     1     2
  H     0.97336520 +1  129.5295853 +1  167.1007884 +1     4     1    14
  H     0.98281834 +1  127.8764081 +1  -92.0747893 +1     5     1     2
  H     0.98271171 +1  127.6990205 +1 -177.8362410 +1     5     1    16
  H     0.97416096 +1  129.1544411 +1  -13.3468892 +1     6     1     2
  H     1.01736764 +1  121.7886525 +1 -162.6655407 +1     6     1    18
  H     0.98305791 +1  128.0830762 +1   94.2020709 +1     7     1     2
  H     0.98286303 +1  127.4881617 +1 -178.2926747 +1     7     1    20
  H     0.97375644 +1  129.8685393 +1  163.9193065 +1     8     1     6
  H     1.00990550 +1  121.2637622 +1 -163.7422474 +1     8     1    22
  H     0.98108685 +1  125.0414318 +1  130.6349084 +1     9     1     2
  H     0.98177725 +1  124.7076011 +1  152.6497776 +1     9     1    24