PM7 Accuracy

4-aminobutanoic acid   1229 4-Aminobutanoic acid

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    #  Species Formula
  1219 AlanineC3H7NO2
  1220 beta-AlanineC3H7NO2
  1221 IsopropylnitriteC3H7NO2
  1222 N-MethylglycineC3H7NO2
  1223 Propyl nitriteC3H7NO2
  1224 UrethaneC3H7NO2
  1225 Methyl cyanoacetateC4H5NO2
  1226 SuccinimideC4H5NO2
  1227 2-NitrobutaneC4H9NO2
  1228 2-NitroisobutaneC4H9NO2
  1229 4-Aminobutanoic acid C4H9NO2
  1230 Isobutyl nitriteC4H9NO2
  1231 n-Butyl nitriteC4H9NO2
  1232 Sec-butyl nitriteC4H9NO2
  1233 t-Butyl nitriteC4H9NO2
  1234 DiethanolamineC4H11NO2
  1235 N-MethylmaleimideC5H5NO2
  1236 GlutarimideC5H7NO2
  1237 N-MethylsuccinimideC5H7NO2
  1238 ProlineC5H9NO2
  1239 5-Aminovaleric acidC5H11NO2


DHf: -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