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

(c2h4)bo4h2, anion r   1378 (C2H4)BO4H2, anion (Geo)

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    #  Species Formula
  1368 Li(+)(H2O)4H8LiO4
  1369 Li(+)(H2O)4 (Geo)H8LiO4
  1370 Li(I)(H2O)4(+) (BADTUV10) (Geo)H8LiO4
  1371 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1372 B(OH)4, anion (Geo)H4BO4
  1373 TetrahydroxydiboraneH4B2O4
  1374 Oxalic acidC2H2O4
  1375 Formic acid, dimer (Geo)C2H4O4
  1376 Formic acid, dimerC2H4O4
  1377 DioxybismethanolC2H6O4
  1378 (C2H4)BO4H2, anion (Geo) H6BC2O4
  1379 1,4-Dioxan-2,5-dioneC4H4O4
  1380 Dimethyl oxalateC4H6O4
  1381 1,3,5,7-TetroxaneC4H8O4
  1382 Dimethyl malonateC5H8O4
  1383 Ethylmalonic acidC5H8O4
  1384 Methylene diacetateC5H8O4
  1385 TetramethoxymethaneC5H12O4
  1386 1,1-DiacetoxyethaneC6H10O4
  1387 Dimethyl methylmalonateC6H10O4
  1388 2,2-DiacetoxypropaneC7H12O4


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=-1 PM7
(C2H4)BO4H2, anion
 <B-O> <B-O><> <B-O><><> <B-O><><> <O-C><C-O-B> GR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.54382400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.50836000 +1  104.9143707 +1    0.0000000 +0     1     2     0
  O     1.46802800 +1  111.3254830 +1  121.1966367 +1     1     2     3
  O     1.49478300 +1  109.2892924 +1  120.2298560 +1     1     2     4
  C     1.41057300 +1  107.6127220 +1  -15.2021229 +1     2     1     3
  C     1.38948085 +1  108.3874509 +1   17.6102104 +1     3     1     2
  H     0.95235860 +1  109.1982377 +1  114.7130589 +1     4     1     2
  H     0.94917599 +1  108.3564661 +1   56.2416956 +1     5     1     2
  H     1.10065333 +1  107.6961823 +1 -113.7569709 +1     6     2     1
  H     1.10007710 +1  106.8460291 +1 -117.5764801 +1     6     2    10
  H     1.10388954 +1  108.1506220 +1  107.9662980 +1     7     3     1
  H     1.10313590 +1  106.6717407 +1  117.2966136 +1     7     3    12