Accuracy

be(ii)o4 (acacbe02)   1396 Be(II)O4 (ACACBE02)

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    #  Species Formula
  1386 2,2-DiacetoxypropaneC7H12O4
  1387 Diethyl malonateC7H12O4
  1388 Dimethyl dimethylmalonateC7H12O4
  1389 3,5,7,9-TetraoxyundecaneC7H16O4
  1390 12-Crown-4C8H16O4
  1391 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  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


ΔHf: -275.2 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
Be(II)O4 (ACACBE02)
 H=-275.2 HR=PW91D
 Be     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.62588285 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.62746152 +1  116.1876988 +1    0.0000000 +0     1     2     0
  O     1.62647611 +1  106.6395824 +1 -117.7666470 +1     1     2     3
  O     1.62691222 +1  106.2871039 +1 -124.6062587 +1     1     2     4
  C     2.32103803 +1  151.1954072 +1    0.8888999 +1     2     1     3
  C     1.26497149 +1  115.0219839 +1   -0.4926499 +1     2     1     6
  C     1.39728021 +1  125.2891532 +1   -0.3725122 +1     7     2     1
  C     1.26478574 +1  115.0182950 +1   -0.1686798 +1     3     1     2
  C     1.49900112 +1  113.9970180 +1  179.9313491 +1     9     3     1
  C     2.32103254 +1  151.0962133 +1 -122.9546911 +1     4     1     2
  C     1.26501791 +1  114.9477343 +1    1.7078444 +1     4     1    11
  C     1.39713622 +1  125.2715404 +1    1.6552104 +1    12     4     1
  C     1.26488662 +1  114.9715802 +1  121.1184394 +1     5     1     2
  C     1.49896794 +1  114.0015320 +1  179.1479631 +1    14     5     1
  H     1.09903616 +1  122.2011760 +1   74.9795377 +1     6     2     1
  H     1.09867398 +1  123.7457367 +1 -148.8479766 +1     6     2    16
  H     1.10199706 +1   81.6344475 +1 -105.6335150 +1     6     2    17
  H     1.08303776 +1  118.3753367 +1 -179.8882932 +1     8     7     2
  H     1.09885761 +1  111.0853413 +1 -120.4200158 +1    10     9     3
  H     1.10181975 +1  111.5375229 +1  120.0407607 +1    10     9    20
  H     1.09893339 +1  111.0639212 +1  119.9972714 +1    10     9    21
  H     1.09879327 +1  123.1642025 +1  -71.4314584 +1    11     4     1
  H     1.09886007 +1  122.7928964 +1  148.8619886 +1    11     4    23
  H     1.10199170 +1   81.6303379 +1  105.5458099 +1    11     4    24
  H     1.08299691 +1  118.3717760 +1  179.9704411 +1    13    12     4
  H     1.09898575 +1  111.0140381 +1 -118.8170851 +1    15    14     5
  H     1.09875449 +1  111.1407013 +1 -119.9696019 +1    15    14    27
  H     1.10189010 +1  111.5394572 +1 -120.1065240 +1    15    14    28