PM7 Accuracy

methyl cyanoacetate   1225 Methyl cyanoacetate

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    #  Species Formula
  1215 Ethyl nitriteC2H5NO2
  1216 GlycineC2H5NO2
  1217 Methyl carbamateC2H5NO2
  1218 NitroethaneC2H5NO2
  1219 AlanineC3H7NO2
  1220 beta-AlanineC3H7NO2
  1221 IsopropylnitriteC3H7NO2
  1222 N-MethylglycineC3H7NO2
  1223 Propyl nitriteC3H7NO2
  1224 UrethaneC3H7NO2
  1225 Methyl cyanoacetate C4H5NO2
  1226 SuccinimideC4H5NO2
  1227 2-NitrobutaneC4H9NO2
  1228 2-NitroisobutaneC4H9NO2
  1229 4-Aminobutanoic acidC4H9NO2
  1230 Isobutyl nitriteC4H9NO2
  1231 n-Butyl nitriteC4H9NO2
  1232 Sec-butyl nitriteC4H9NO2
  1233 t-Butyl nitriteC4H9NO2
  1234 DiethanolamineC4H11NO2
  1235 N-MethylmaleimideC5H5NO2


DHf: -58.2 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
Methyl cyanoacetate
 H=-58.15 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  O     1.42649210  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.35683518  1  115.7985296  1    0.0000000  0     2     1     0
  O     1.19828460  1  123.7354624  1    0.0263545  1     3     2     1
  C     1.51009276  1  108.0410045  1  179.8279276  1     3     2     4
  C     1.44083144  1  111.6149808  1  175.9138823  1     5     3     2
  N     1.15587661  1  146.2179200  1  179.9363567  1     6     3     5
  H     1.09556645  1  110.1211184  1  -61.4621910  1     1     2     3
  H     1.09555722  1  110.1665295  1  122.2353722  1     1     2     8
  H     1.09651361  1  102.7778420  1  118.9123372  1     1     2     9
  H     1.12357618  1  109.1785337  1  123.1655213  1     5     3     6
  H     1.12354334  1  109.4833300  1  113.5275565  1     5     3    11