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

Y(III)O9(3plus) (AYETHS01)   4575 Y(III)O9(3+) (AYETHS01)

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    #  Species Formula
  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
  4582 Yttrium(I) fluorideFY
  4583 Yttrium(III) oxide fluorideOFY
  4584 Yttrium(III) trifluorideF3Y
  4585 Yttrium(III) tetrafluoride, anionF4Y


ΔHf: 9.5 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)O9(3+) (AYETHS01)
 H=9.5 HR=PW91D
  Y     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     4.07145736 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.23212483 +1  102.8779008 +1    0.0000000 +0     1     2     0
  H     0.98085698 +1  127.7276246 +1 -167.0263121 +1     2     1     3
  H     1.00850962 +1  121.9720325 +1 -122.8938234 +1     3     1     2
  H     0.97315600 +1  127.4833692 +1  158.1189730 +1     3     1     5
  O     4.07524685 +1  120.5600749 +1  143.4334716 +1     1     2     3
  O     4.07279768 +1  120.0225665 +1 -179.3489216 +1     1     2     7
  O     2.23001423 +1   37.2943917 +1  111.2156250 +1     1     2     8
  O     2.23225997 +1  125.2780540 +1   23.6786011 +1     1     2     9
  O     2.23166167 +1   37.3956713 +1  156.1172524 +1     1     2    10
  O     2.23357519 +1  103.2659086 +1  -75.6481042 +1     1     2    11
  O     2.23299971 +1  125.1050838 +1  100.2736501 +1     1     2    12
  H     0.98087842 +1  127.7304116 +1  179.3913514 +1     2     1     4
  H     0.98073239 +1  127.6115542 +1  158.7995143 +1     7     1     2
  H     0.98084446 +1  127.8743407 +1  179.1872757 +1     7     1    15
  H     0.98093342 +1  127.6959496 +1  -21.3545375 +1     8     1     2
  H     0.98087357 +1  127.8007102 +1  179.4499727 +1     8     1    17
  H     1.00864344 +1  122.1680465 +1    0.3476407 +1     9     1     2
  H     0.97303520 +1  127.5170059 +1  159.2245557 +1     9     1    19
  H     1.00846803 +1  122.1501651 +1   95.8901952 +1    10     1     2
  H     0.97298801 +1  127.2483813 +1  157.9998668 +1    10     1    21
  H     1.00772521 +1  122.0854834 +1    0.3824628 +1    11     1     2
  H     0.97304902 +1  127.6366967 +1  159.3275913 +1    11     1    23
  H     1.00739132 +1  121.9389355 +1 -123.2754071 +1    12     1     2
  H     0.97339966 +1  127.7190796 +1  158.6334279 +1    12     1    25
  H     1.00745743 +1  122.0059093 +1   95.1731999 +1    13     1     2
  H     0.97314054 +1  127.3994846 +1  158.1123997 +1    13     1    27