Accuracy

be(ii)o4(2-) (yambod)   1402 Be(II)O4(2-) (YAMBOD)

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    #  Species Formula
  1392 Dimethyl isophthalateC10H10O4
  1393 Dimethyl phthalateC10H10O4
  1394 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1395 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1396 Be(II)O4 (ACACBE02)H14BeC10O4
  1397 Benzal diacetateC11H12O4
  1398 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1399 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1400 Benzyl diacetateC12H14O4
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD) H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1405 Diphenyl oxalateC14H10O4
  1406 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1408 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1409 p-Diacetylbenzene diethyl ketalC18H30O4
  1410 Aspartic acidC4H7NO4
  1411 Glutamic acidC5H9NO4
  1412 4-NitrocatecholC6H5NO4


ΔHf: -211.1 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=-2 PM7
Be(II)O4(2-) (YAMBOD)
 H=-211.1 HR=PW91D
 Be     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.65541751 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.65576906 +1  102.7592228 +1    0.0000000 +0     1     2     0
  O     1.65544762 +1  113.0658585 +1 -121.7322541 +1     1     2     3
  O     1.65567557 +1  112.9195187 +1 -116.1410839 +1     1     2     4
  C     1.29682134 +1  103.1650285 +1   -0.0049016 +1     2     1     3
  C     1.29673753 +1  103.1601768 +1    0.0098447 +1     3     1     2
  C     1.38289890 +1  124.7675519 +1  179.9918486 +1     7     3     1
  C     1.41764697 +1  118.9746033 +1  179.9804876 +1     8     7     3
  C     1.37500167 +1  121.2447351 +1    0.0227483 +1     9     8     7
  C     1.38283095 +1  124.7596278 +1  179.9985353 +1     6     2     1
  C     1.29663483 +1  103.1709614 +1 -122.3456317 +1     4     1     2
  C     1.29680476 +1  103.1616613 +1  122.4344525 +1     5     1     2
  C     1.38278943 +1  124.7737473 +1  179.8536613 +1    13     5     1
  C     1.41765379 +1  118.9788171 +1  179.9559737 +1    14    13     5
  C     1.37495791 +1  121.2475671 +1    0.0060157 +1    15    14    13
  C     1.38281807 +1  124.7606505 +1 -179.8200986 +1    12     4     1
  H     1.07465191 +1  120.5210922 +1 -179.9825654 +1     8     7     9
  H     1.08068753 +1  118.2508303 +1  179.9838281 +1     9     8    10
  H     1.08069072 +1  120.4981658 +1  179.9807898 +1    10     9     8
  H     1.07464692 +1  120.5269977 +1    0.0078602 +1    11     6     2
  H     1.07466125 +1  120.5325231 +1  179.9975459 +1    14    13    15
  H     1.08063830 +1  118.2521757 +1 -179.9891383 +1    15    14    16
  H     1.08065128 +1  120.5038951 +1 -179.9982393 +1    16    15    14
  H     1.07465095 +1  120.5291105 +1    0.0837881 +1    17    12     4