PM7 Accuracy

n-methylglycine   1222 N-Methylglycine

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    #  Species Formula
  1212 Nitrous acid, transHNO2
  1213 Methyl nitriteCH3NO2
  1214 NitromethaneCH3NO2
  1215 Ethyl nitriteC2H5NO2
  1216 GlycineC2H5NO2
  1217 Methyl carbamateC2H5NO2
  1218 NitroethaneC2H5NO2
  1219 AlanineC3H7NO2
  1220 beta-AlanineC3H7NO2
  1221 IsopropylnitriteC3H7NO2
  1222 N-Methylglycine C3H7NO2
  1223 Propyl nitriteC3H7NO2
  1224 UrethaneC3H7NO2
  1225 Methyl cyanoacetateC4H5NO2
  1226 SuccinimideC4H5NO2
  1227 2-NitrobutaneC4H9NO2
  1228 2-NitroisobutaneC4H9NO2
  1229 4-Aminobutanoic acidC4H9NO2
  1230 Isobutyl nitriteC4H9NO2
  1231 n-Butyl nitriteC4H9NO2
  1232 Sec-butyl nitriteC4H9NO2


DHf: -87.8 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
N-Methylglycine
 H=-87.772 HR=NIST
  C     0.08110749  1  -0.06375989  1   0.09679279  1
  N     1.54128065  1  -0.00729526  1  -0.10404429  1
  C     2.01666506  1   1.38892740  1  -0.20821183  1
  C     3.50166462  1   1.18590736  1  -0.26875451  1
  O     4.18620890  1   2.25528115  1  -0.72536253  1
  O     4.01174918  1   0.15394340  1   0.07289285  1
  H    -0.23026965  1  -1.12311469  1   0.05766735  1
  H    -0.43228473  1   0.45169447  1  -0.73198537  1
  H    -0.26654004  1   0.36741841  1   1.04685819  1
  H     2.02991559  1  -0.52730910  1   0.62977741  1
  H     1.73291066  1   2.06055544  1   0.62928113  1
  H     1.61897313  1   1.84434211  1  -1.14467400  1
  H     5.16366937  1   2.10551517  1  -0.78470323  1