PM7 Accuracy

ethyl 4-pentenoate   1140 Ethyl 4-pentenoate

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    #  Species Formula
  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-pentenoateC7H12O2
  1140 Ethyl 4-pentenoate C7H12O2
  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
  1150 Ethyl pentanoateC7H14O2


DHf: -92.1 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
Ethyl 4-pentenoate
 H=-92.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33336242  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49392184  1  122.2560444  1    0.0000000  0     2     1     0
  C     1.53138516  1  112.1562088  1  179.7881092  1     3     2     1
  C     1.49890109  1  109.9258987  1 -179.9427172  1     4     3     2
  O     1.35562317  1  109.3684087  1  179.9623014  1     5     4     3
  C     1.43594600  1  116.3023098  1  179.9915898  1     6     5     4
  C     1.51948524  1  104.2649842  1  179.9322939  1     7     6     5
  O     1.20379833  1  128.2196747  1  179.9992060  1     5     4     6
  H     1.07843703  1  123.9889067  1   -0.0113559  1     1     2     3
  H     1.07801245  1  123.4664121  1  179.9994178  1     1     2    10
  H     1.08882746  1  121.6512265  1 -179.9893422  1     2     1     3
  H     1.11357986  1  110.2873511  1  122.7318968  1     3     2     4
  H     1.11354284  1  110.3226212  1  114.5087960  1     3     2    13
  H     1.11127076  1  110.9212118  1 -121.7477466  1     4     3     5
  H     1.11140968  1  110.9121287  1 -116.5827603  1     4     3    15
  H     1.10451713  1  108.4473728  1  120.6558924  1     7     6     8
  H     1.10457474  1  108.4534368  1  118.6644597  1     7     6    17
  H     1.09799308  1  111.3377123  1  -59.6974914  1     8     7     6
  H     1.09800653  1  111.3226185  1  119.1332084  1     8     7    19
  H     1.09585937  1  111.1166839  1  120.4192111  1     8     7    20