Accuracy

lino3.2h2o   1432 LiNO3.2H2O

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    #  Species Formula
  1422 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1423 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1424 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1425 MethyldinitramineCH3N3O4
  1426 LiHCO3.2H2OH5LiCO5
  1427 LiHCO3.2H2O (Geo)H5LiCO5
  1428 Tartronic acidC3H4O5
  1429 1,3,5,7,9-pentaoxecaneC5H10O5
  1430 3,5,7,9,11-Pentaoxa-tridecaneC8H18O5
  1431 15-Crown-5C10H20O5
  1432 LiNO3.2H2O H4LiNO5
  1433 LiNO3.2H2O (Geo)H4LiNO5
  1434 Dinitrogen pentoxideN2O5
  1435 SER-SERC6H12N2O5
  1436 THR-THRC8H16N2O5
  1437 Li(+)(H2O)5.OHH11LiO6
  1438 Li(+)(H2O)5.OH (Geo)H11LiO6
  1439 Li(+)(H2O)6H12LiO6
  1440 Li(+)(H2O)6 (Geo)H12LiO6
  1441 B3O3(OH)3H3B3O6
  1442 Tri-acetyl borate (Geo)H9BC6O6


ΔHf: -206.3 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
LiNO3.2H2O
 H=-206.3 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.04130481 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.26217449 +1   92.2210000 +1    0.0000000 +0     2     1     0
  O     1.27411538 +1  113.6977825 +1    0.2956573 +1     3     2     1
  O     2.24067188 +1   77.5962471 +1  149.1396234 +1     1     2     3
  H     2.76865184 +1   85.1885103 +1  177.1264273 +1     1     2     5
  H     1.52447630 +1  151.7144999 +1 -143.9239862 +1     6     1     2
  O     1.20748003 +1  123.5743380 +1 -179.7997863 +1     3     2     4
  H     0.95486083 +1  143.6740272 +1  139.6526268 +1     5     1     2
  H     0.97078226 +1  105.3427923 +1 -148.3533857 +1     5     1     9
  O     0.95012364 +1   37.5503822 +1   11.8974010 +1     7     6     1