PM7 Accuracy

1,2,3,4,5-pentamethyl-1,3-cyclopentadiene    298 1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene

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    #  Species Formula
   288 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   289 TetralinC10H12
   290 (1-Methylpropyl) benzeneC10H14
   291 (2-Methylpropyl) benzeneC10H14
   292 1,2,3,4-Tetramethyl benzeneC10H14
   293 1,2,3,4-TetramethylfulveneC10H14
   294 1,2,3,5-Tetramethyl benzeneC10H14
   295 1,2,4,5-Tetramethyl benzeneC10H14
   296 tert-Butyl benzeneC10H14
   297 TetrahydrotriquinaceneC10H14
   298 1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene C10H16
   299 AdamantaneC10H16
   300 CampheneC10H16
   301 PerhydrotriquinaceneC10H16
   302 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   303 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   304 cis-DecalinC10H18
   305 Spiro(4-5)decaneC10H18
   306 trans-DecalinC10H18
   307 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   308 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20


DHf: -5.9 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
1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene
 H=-5.9 HR=NIST
  C     0.00116369  1  -0.00528415  1   0.01688902  1
  C     1.35632470  1  -0.01014685  1  -0.00545114  1
  C     1.87200565  1   1.42254895  1  -0.00479261  1
  C     0.58151023  1   2.23120016  1  -0.00044507  1
  C    -0.48087229  1   1.38991058  1   0.02043531  1
  C    -1.91878525  1   1.72680399  1   0.04779574  1
  C    -0.92133870  1  -1.15929530  1   0.03877183  1
  C     2.28519021  1  -1.15485312  1  -0.02164700  1
  C     2.74003548  1   1.72385073  1  -1.22179337  1
  C     0.60518705  1   3.70510857  1  -0.00992753  1
  H     2.43983546  1   1.61789816  1   0.93491079  1
  H    -2.41296197  1   1.28045647  1   0.92452802  1
  H    -2.43347026  1   1.34441591  1  -0.84683089  1
  H    -2.09732503  1   2.81002727  1   0.08819225  1
  H    -1.58029974  1  -1.15826537  1  -0.84285534  1
  H    -1.56836706  1  -1.13258541  1   0.92887516  1
  H    -0.39254296  1  -2.12181935  1   0.04843422  1
  H     2.80458644  1  -1.22832838  1  -0.99053020  1
  H     3.05822470  1  -1.06226242  1   0.75542345  1
  H     1.77291181  1  -2.11332224  1   0.14308878  1
  H     2.19081790  1   1.53187961  1  -2.15250706  1
  H     3.05786919  1   2.77246315  1  -1.23347703  1
  H     3.63974338  1   1.09859841  1  -1.23187969  1
  H     1.28659645  1   4.10620532  1   0.75502684  1
  H     0.94787251  1   4.08855386  1  -0.98452723  1
  H    -0.38579385  1   4.14203858  1   0.17804264  1