Accuracy

methyl cyanoacetate   1221 Methyl cyanoacetate

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    #  Species Formula
  1211 Ethyl nitriteC2H5NO2
  1212 GlycineC2H5NO2
  1213 Methyl carbamateC2H5NO2
  1214 NitroethaneC2H5NO2
  1215 AlanineC3H7NO2
  1216 beta-AlanineC3H7NO2
  1217 IsopropylnitriteC3H7NO2
  1218 N-MethylglycineC3H7NO2
  1219 Propyl nitriteC3H7NO2
  1220 UrethaneC3H7NO2
  1221 Methyl cyanoacetate C4H5NO2
  1222 SuccinimideC4H5NO2
  1223 2-NitrobutaneC4H9NO2
  1224 2-NitroisobutaneC4H9NO2
  1225 4-Aminobutanoic acidC4H9NO2
  1226 Isobutyl nitriteC4H9NO2
  1227 n-Butyl nitriteC4H9NO2
  1228 Sec-butyl nitriteC4H9NO2
  1229 t-Butyl nitriteC4H9NO2
  1230 DiethanolamineC4H11NO2
  1231 N-MethylmaleimideC5H5NO2


ΔHf: -58.1 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