PM7 Accuracy

2,2,5,5-tetramethylhexane    312 2,2,5,5-Tetramethylhexane

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    #  Species Formula
   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
   309 1-DeceneC10H20
   310 Butyl cyclohexaneC10H20
   311 Pentyl cyclopentaneC10H20
   312 2,2,5,5-Tetramethylhexane C10H22
   313 3,3,4,4-TetramethylhexaneC10H22
   314 n-DecaneC10H22
   315 PentamethylbenzeneC11H16
   316 1,1,4-TrimethylcycloheptaneC11H22
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8
   322 AcenaphtheneC12H10


DHf: -68.0 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
2,2,5,5-Tetramethylhexane
 H=-68 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53615228  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54650911  1  110.9281650  1    0.0000000  0     2     1     0
  C     1.53198066  1  113.6081305  1   61.3856994  1     3     2     1
  C     1.54663609  1  113.5706993  1 -179.4544412  1     4     3     2
  C     1.53663412  1  110.8136767  1  -60.5637828  1     5     4     3
  C     1.53646330  1  109.6093151  1  122.7408985  1     2     1     3
  C     1.54236368  1  108.7374810  1  118.8016608  1     2     1     7
  C     1.53641210  1  110.8600847  1  121.9213357  1     5     4     6
  C     1.54205623  1  107.9045830  1  119.0548489  1     5     4     9
  H     1.09470796  1  111.6049865  1  -64.5868570  1     1     2     3
  H     1.09487319  1  111.2248708  1  120.0182616  1     1     2    11
  H     1.09468500  1  111.2123646  1  120.0931947  1     1     2    12
  H     1.10623183  1  108.8909188  1  122.4408798  1     3     2     4
  H     1.10631738  1  108.8466786  1  115.0895404  1     3     2    14
  H     1.10634736  1  109.6766630  1  122.0423381  1     4     3     5
  H     1.10635408  1  109.6209077  1  115.9385818  1     4     3    16
  H     1.09468198  1  111.2347887  1  -54.7395736  1     6     5     4
  H     1.09447333  1  111.5898236  1  120.3135949  1     6     5    18
  H     1.09495281  1  111.1852778  1  119.7196153  1     6     5    19
  H     1.09467728  1  111.2415588  1 -177.3354144  1     7     2     1
  H     1.09448801  1  111.6015275  1  120.3166323  1     7     2    21
  H     1.09496835  1  111.1745533  1  119.6999012  1     7     2    22
  H     1.09426005  1  111.3335713  1   60.2974414  1     8     2     1
  H     1.09428370  1  111.3200820  1  120.2880365  1     8     2    24
  H     1.09437258  1  111.2030720  1  119.8691707  1     8     2    25
  H     1.09465872  1  111.5985210  1  -64.7045168  1     9     5     4
  H     1.09483337  1  111.2211602  1  120.0119222  1     9     5    27
  H     1.09469147  1  111.2117681  1  120.0924274  1     9     5    28
  H     1.09428996  1  111.3282732  1  -60.1840676  1    10     5     4
  H     1.09433093  1  111.3165643  1  120.2775505  1    10     5    30
  H     1.09441464  1  111.2026498  1  119.8718340  1    10     5    31