Accuracy

Y(III)O9 (CEXFAM)   4597 Y(III)O9 (CEXFAM)

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    #  Species Formula
  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) sulfideSY
  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
  4604 Y(Cp)2O2Cl (AGUVUT) (Geo)C28H30O2ClY
  4605 Y(Cp)2O2Cl (AGUVUT)C28H30O2ClY
  4606 Y(III)O7Cl(2+) (FIZKOO) (Geo)C12H28O8ClY
  4607 Y(III)O7Cl(2+) (FIZKOO)C12H28O8ClY


ΔHf: -410.7 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.
  
 PM7
Y(III)O9 (CEXFAM)
 H=-410.7 HR=PW91D
  Y     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.29034806 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.28008943 +1  149.6123530 +1    0.0000000 +0     1     2     0
  O     2.29661701 +1   91.7593853 +1   62.1874440 +1     1     2     3
  O     2.29611695 +1   89.5669645 +1   91.0813693 +1     1     2     4
  O     2.17270240 +1   99.4738555 +1  149.1310766 +1     3     1     2
  O     2.17291136 +1   41.5019191 +1   13.0903103 +1     3     1     6
  O     2.19371852 +1   78.7092096 +1   84.3853876 +1     1     2     5
  O     2.14502307 +1  149.9588176 +1 -112.5639090 +1     8     1     2
  O     2.17673502 +1   98.8294322 +1  -42.7491335 +1     8     1     9
  O     2.19706434 +1   82.4503185 +1  109.0057190 +1     1     2     8
  O     2.17887136 +1  100.0682946 +1  -59.2670150 +1    11     1     2
  O     2.14324137 +1  148.9700589 +1   46.8667080 +1    11     1    12
  N     1.21963570 +1   27.0888485 +1   10.1967102 +1     6     3     1
  N     1.22123729 +1   33.3303912 +1  -50.5889663 +1     9     8     1
  N     1.30715875 +1  125.8026101 +1  -31.5431165 +1    11     1    13
  C     2.60355434 +1  102.2131025 +1  164.0790376 +1     2     1     3
  C     2.64309529 +1  109.9157886 +1 -109.3242701 +1     2     1     5
  C     2.60051361 +1  104.0940028 +1  -34.9328614 +1     4     1     2
  C     2.63814911 +1  106.8665103 +1  167.9518067 +1     4     1     5
  C     2.60684339 +1  100.9602506 +1 -134.4517265 +1     5     1     2
  C     2.64047410 +1  110.0740123 +1 -109.0471645 +1     5     1     4
  H     1.10302095 +1  118.3099938 +1   48.5489606 +1    17     2    18
  H     1.11434310 +1   75.2390162 +1   97.7501829 +1    17     2    23
  H     1.08908493 +1  130.9352750 +1  100.4735534 +1    17     2    24
  H     1.10035367 +1   98.6126410 +1 -104.3371211 +1    18     2     1
  H     1.11714958 +1   86.6986913 +1  103.6389927 +1    18     2    26
  H     1.09157100 +1  145.1728996 +1  114.4529998 +1    18     2    27
  H     1.11522089 +1   74.7415511 +1  134.2614035 +1    19     4    20
  H     1.08973000 +1  123.1795549 +1  100.7123550 +1    19     4    29
  H     1.09946799 +1  126.2530276 +1  162.8796546 +1    19     4    30
  H     1.09130625 +1  129.3192288 +1 -146.5243920 +1    20     4     1
  H     1.11653642 +1   76.9273354 +1  101.6283590 +1    20     4    32
  H     1.10258085 +1  119.5801061 +1   96.9438891 +1    20     4    33
  H     1.10301214 +1  118.5015123 +1   48.1507049 +1    21     5    22
  H     1.08879692 +1  130.5895470 +1 -162.2977955 +1    21     5    35
  H     1.11625201 +1   75.2448847 +1 -100.5300335 +1    21     5    36
  H     1.09962567 +1   96.3172279 +1 -102.1953044 +1    22     5     1
  H     1.11677252 +1   88.4711295 +1  103.8472341 +1    22     5    38
  H     1.09152034 +1  146.0682068 +1  118.2013700 +1    22     5    39
  S     1.53973556 +1  137.0202417 +1   37.7162697 +1     2     1    18
  S     1.53948160 +1  136.5345057 +1   34.3909616 +1     4     1    20
  S     1.53990090 +1  136.2264954 +1   38.7542238 +1     5     1    22