PM7 Accuracy

1-methyl cyclopentene    182 1-Methyl cyclopentene

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    #  Species Formula
   172 BenzeneC6H6
   173 Benzene (Geo)C6H6
   174 FulveneC6H6
   175 Fulvene (Geo)C6H6
   176 (E)-1,3,5-HexatrieneC6H8
   177 (Z)-1,3,5-HexatrieneC6H8
   178 1,3-CyclohexadieneC6H8
   179 1,4-CyclohexadieneC6H8
   180 1,2-DimethylcyclobuteneC6H10
   181 1,5-HexadieneC6H10
   182 1-Methyl cyclopentene C6H10
   183 3-Methyl cyclopenteneC6H10
   184 4-Methyl cyclopenteneC6H10
   185 BicyclopropylC6H10
   186 Cyclohexene (Geo)C6H10
   187 CyclohexeneC6H10
   188 Cyclohexyl, cationC6H11
   189 1-HexeneC6H12
   190 2,3-Dimethyl-1-buteneC6H12
   191 2,3-Dimethyl-2-buteneC6H12
   192 (Z)-3-Methyl-2-penteneC6H12


DHf: -1.0 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
1-Methyl cyclopentene
 H=-1.05 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50207137  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.55179996  1  104.8869878  1    0.0000000  0     2     1     0
  C     1.54999661  1  106.0506391  1   -0.0033815  1     3     2     1
  C     1.34043566  1  112.1367936  1   -0.0205353  1     1     2     3
  C     1.47880051  1  127.6181544  1 -179.9987596  1     5     1     2
  H     1.07212113  1  120.2355124  1 -179.9898413  1     1     2     5
  H     1.10331002  1  111.3082219  1 -120.6811223  1     2     1     3
  H     1.10333541  1  111.3063263  1 -118.6504412  1     2     1     8
  H     1.09956499  1  110.9986027  1 -120.7232954  1     3     2     4
  H     1.09956854  1  111.0082159  1 -118.5504773  1     3     2    10
  H     1.10256936  1  111.5583763  1 -120.4502605  1     4     3     2
  H     1.10252902  1  111.5721438  1 -119.0210119  1     4     3    12
  H     1.10049374  1  111.3697076  1  120.4926041  1     6     5     1
  H     1.10047512  1  111.3589592  1  119.5531086  1     6     5    14
  H     1.09914968  1  112.3616246  1  120.2237269  1     6     5    15