PM7 Accuracy

ethyl (z)-2-pentenoate   1138 Ethyl (Z)-2-pentenoate

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    #  Species Formula
  1128 3-Methyl-1,2-benzenediolC7H8O2
  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-pentenoate C7H12O2
  1139 Ethyl (Z)-3-pentenoateC7H12O2
  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


DHf: -94.3 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)-2-pentenoate
 H=-94.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52797879  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49077777  1  112.1022704  1    0.0000000  0     2     1     0
  C     1.33984276  1  122.5596554  1 -179.7665690  1     3     2     1
  C     1.46529565  1  119.9628292  1 -179.9576679  1     4     3     2
  O     1.20863837  1  127.7562423  1    0.1206528  1     5     4     3
  O     1.35697305  1  110.2902781  1 -179.9976324  1     5     4     6
  C     1.43612794  1  116.0021880  1 -179.9725860  1     7     5     4
  C     1.51998943  1  104.0500164  1 -179.9362546  1     8     7     5
  H     1.09670189  1  111.6103471  1   60.2852617  1     1     2     3
  H     1.09672576  1  111.6207270  1 -120.3979469  1     1     2    10
  H     1.09611837  1  111.3030484  1 -119.7984896  1     1     2    11
  H     1.11257027  1  109.8667496  1  122.5599562  1     2     1     3
  H     1.11259516  1  109.8484346  1  114.8634029  1     2     1    13
  H     1.09661028  1  116.3076151  1 -179.9636430  1     3     2     4
  H     1.08813508  1  123.8286085  1  179.9794501  1     4     3     5
  H     1.10421073  1  108.4989704  1 -120.6766208  1     8     7     9
  H     1.10423495  1  108.4910592  1 -118.6911146  1     8     7    17
  H     1.09804331  1  111.2688232  1  -59.6620357  1     9     8     7
  H     1.09807782  1  111.2499844  1  119.0270862  1     9     8    19
  H     1.09559164  1  111.1273966  1  120.4723043  1     9     8    20