Accuracy

4-aminobutanoic acid   1225 4-Aminobutanoic acid

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    #  Species Formula
  1215 AlanineC3H7NO2
  1216 beta-AlanineC3H7NO2
  1217 IsopropylnitriteC3H7NO2
  1218 N-MethylglycineC3H7NO2
  1219 Propyl nitriteC3H7NO2
  1220 UrethaneC3H7NO2
  1221 Methyl cyanoacetateC4H5NO2
  1222 SuccinimideC4H5NO2
  1223 2-NitrobutaneC4H9NO2
  1224 2-NitroisobutaneC4H9NO2
  1225 4-Aminobutanoic acid C4H9NO2
  1226 Isobutyl nitriteC4H9NO2
  1227 n-Butyl nitriteC4H9NO2
  1228 Sec-butyl nitriteC4H9NO2
  1229 t-Butyl nitriteC4H9NO2
  1230 DiethanolamineC4H11NO2
  1231 N-MethylmaleimideC5H5NO2
  1232 GlutarimideC5H7NO2
  1233 N-MethylsuccinimideC5H7NO2
  1234 ProlineC5H9NO2
  1235 5-Aminovaleric acidC5H11NO2


ΔHf: -105.0 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.
  
 PM7
4-Aminobutanoic acid
 H=-105.0 HR=NIST
  N    -0.04208619 +1   0.03798257 +1  -0.10814654 +1
  C     1.40881070 +1   0.08114225 +1  -0.39652405 +1
  C     1.90878510 +1   1.52069511 +1  -0.18402442 +1
  C     3.43173375 +1   1.57550393 +1  -0.30333788 +1
  C     3.90819043 +1   2.98882648 +1  -0.21610762 +1
  O     5.26782244 +1   3.01626880 +1  -0.13709185 +1
  O     3.27816711 +1   4.01180784 +1  -0.21304839 +1
  H    -0.56495282 +1   0.64624265 +1  -0.71585752 +1
  H    -0.41017764 +1  -0.89486955 +1  -0.18101482 +1
  H     1.65820020 +1  -0.26647260 +1  -1.42130006 +1
  H     1.91601222 +1  -0.60844172 +1   0.31513120 +1
  H     1.43490774 +1   2.21105966 +1  -0.90984637 +1
  H     1.57848350 +1   1.88582324 +1   0.81220277 +1
  H     3.77471349 +1   1.12746180 +1  -1.26205190 +1
  H     3.91454270 +1   0.96343936 +1   0.49078277 +1
  H     5.64258680 +1   3.92898218 +1  -0.08489143 +1