PM7 Accuracy

n-methylmaleimide   1235 N-Methylmaleimide

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    #  Species Formula
  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
  1233 t-Butyl nitriteC4H9NO2
  1234 DiethanolamineC4H11NO2
  1235 N-Methylmaleimide C5H5NO2
  1236 GlutarimideC5H7NO2
  1237 N-MethylsuccinimideC5H7NO2
  1238 ProlineC5H9NO2
  1239 5-Aminovaleric acidC5H11NO2
  1240 N,N-Dimethylglycine methyl esterC5H11NO2
  1241 tert-Pentyl nitriteC5H11NO2
  1242 ValineC5H11NO2
  1243 1,1-Dimethoxy-trimethylamineC5H13NO2
  1244 NiacinC6H5NO2
  1245 NitrobenzeneC6H5NO2


DHf: -61.2 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
N-Methylmaleimide
 H=-61.19 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41686544  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.51361018  1  105.4007256  1    0.0000000  0     2     1     0
  C     1.33933752  1  109.1566355  1    0.0157301  1     3     2     1
  C     1.41747059  1  110.8623698  1    0.0163167  1     1     2     3
  C     1.45288946  1  124.8279895  1  179.9776761  1     1     2     5
  O     1.19726482  1  124.8120859  1  179.9944680  1     2     1     3
  O     1.19707318  1  124.8165728  1 -179.9892229  1     5     1     2
  H     1.07520422  1  120.2121300  1 -179.9984495  1     3     2     4
  H     1.07530322  1  130.4889711  1 -179.9998358  1     4     3     2
  H     1.10622620  1  110.6197053  1 -119.6353165  1     6     1     2
  H     1.10624410  1  110.6160990  1 -119.7685184  1     6     1    11
  H     1.10701697  1  110.3204916  1 -120.1155284  1     6     1    12