PM7 Accuracy

ethyl (z)-3-pentenoate   1139 Ethyl (Z)-3-pentenoate

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    #  Species Formula
  1129 4-Methyl 1,2-BenzenediolC7H8O2
  1130 Ethyl 2-methylene-3-butenoateC7H10O2
  1131 Ethyl 2-pentynoateC7H10O2
  1132 Ethyl 3-pentynoateC7H10O2
  1133 Ethyl 4-pentynoateC7H10O2
  1134 3,5-HeptanedioneC7H12O2
  1135 3-Ethyl-2,4-pentanedioneC7H12O2
  1136 5-Methyl-2,4-hexanedioneC7H12O2
  1137 Butyl 2-propenoateC7H12O2
  1138 Ethyl (Z)-2-pentenoateC7H12O2
  1139 Ethyl (Z)-3-pentenoate C7H12O2
  1140 Ethyl 4-pentenoateC7H12O2
  1141 Ethyl trans-2-pentenoateC7H12O2
  1142 HeptanolactoneC7H12O2
  1143 Isopropyl 2-butenoateC7H12O2
  1144 Propyl (E)-2-butenoateC7H12O2
  1145 (2a,4a,6b)-2,4,6-Trimethyl-1,3-dioxaneC7H14O2
  1146 1,1-DimethoxycyclopentaneC7H14O2
  1147 1,1-Dimethylpropyl acetateC7H14O2
  1148 Ethyl 2-methylbutanoateC7H14O2
  1149 Ethyl 3-methylbutanoateC7H14O2


DHf: -92.6 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
Ethyl (Z)-3-pentenoate
 H=-92.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48837567  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33587417  1  122.7763309  1    0.0000000  0     2     1     0
  C     1.49397085  1  122.7305922  1 -179.5907681  1     3     2     1
  C     1.50239988  1  109.0142697  1 -129.6610609  1     4     3     2
  O     1.20378661  1  127.8770485  1  -53.2851602  1     5     4     3
  O     1.35420357  1  109.5311616  1 -179.4458638  1     5     4     6
  C     1.43611287  1  116.3477136  1 -179.9280697  1     7     5     4
  C     1.51960944  1  104.1792407  1  179.9451560  1     8     7     5
  H     1.09992925  1  111.1569386  1  118.6656181  1     1     2     3
  H     1.09871734  1  113.0361359  1 -120.4582077  1     1     2    10
  H     1.10025602  1  111.1232662  1 -120.3214954  1     1     2    11
  H     1.08932710  1  114.9175812  1 -179.9901067  1     2     1     3
  H     1.09106158  1  122.5564658  1  179.9433100  1     3     2     4
  H     1.11236847  1  112.2705324  1  123.4146577  1     4     3     5
  H     1.11550254  1  110.0711509  1  117.1771102  1     4     3    15
  H     1.10445640  1  108.4231460  1 -120.6260760  1     8     7     9
  H     1.10422129  1  108.4990795  1 -118.6753118  1     8     7    17
  H     1.09817821  1  111.2613709  1  -59.3101298  1     9     8     7
  H     1.09789084  1  111.3238479  1  119.0892895  1     9     8    19
  H     1.09577607  1  111.1257344  1  120.4779416  1     9     8    20