Accuracy

beta-alanine   1053 beta-Alanine

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    #  Species Formula
  1043 Nitrous acid (trans) (https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1044 Nitrous acid, cisHNO2
  1045 Nitrous acid, transHNO2
  1046 Methyl nitriteCH3NO2
  1047 NitromethaneCH3NO2
  1048 Ethyl nitriteC2H5NO2
  1049 GlycineC2H5NO2
  1050 Methyl carbamateC2H5NO2
  1051 NitroethaneC2H5NO2
  1052 AlanineC3H7NO2
  1053 beta-Alanine C3H7NO2
  1054 IsopropylnitriteC3H7NO2
  1055 N-MethylglycineC3H7NO2
  1056 Propyl nitriteC3H7NO2
  1057 UrethaneC3H7NO2
  1058 Methyl cyanoacetateC4H5NO2
  1059 SuccinimideC4H5NO2
  1060 2-NitrobutaneC4H9NO2
  1061 2-NitroisobutaneC4H9NO2
  1062 4-Aminobutanoic acidC4H9NO2
  1063 Isobutyl nitriteC4H9NO2


ΔHf: -101.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  

beta-Alanine
 H=-101.0 HR=NIST
  N    -0.00167599 +1   0.02452674 +1  -0.03219302 +1
  C     1.47541319 +1   0.03347653 +1  -0.03161651 +1
  C     1.92843537 +1   1.50520988 +1  -0.03553988 +1
  C     3.41115687 +1   1.59328509 +1   0.06732035 +1
  O     3.80413593 +1   2.89521164 +1   0.02931722 +1
  O     4.22272596 +1   0.71113645 +1   0.16959740 +1
  H    -0.37746158 +1  -0.84835373 +1   0.29639397 +1
  H    -0.38442136 +1   0.22811395 +1  -0.93969234 +1
  H     1.92302895 +1  -0.50926715 +1  -0.89185275 +1
  H     1.84461031 +1  -0.47282428 +1   0.88938502 +1
  H     1.44384844 +1   2.05131815 +1   0.80871148 +1
  H     1.56587962 +1   2.03277029 +1  -0.94323354 +1
  H     4.78120585 +1   3.01889285 +1   0.10014744 +1