PM7 Accuracy

3,3,4,4-tetramethylhexane    313 3,3,4,4-Tetramethylhexane

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    #  Species Formula
   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-TetramethylhexaneC10H22
   313 3,3,4,4-Tetramethylhexane C10H22
   314 n-DecaneC10H22
   315 PentamethylbenzeneC11H16
   316 1,1,4-TrimethylcycloheptaneC11H22
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8
   322 AcenaphtheneC12H10
   323 BiphenylC12H10


DHf: -63.5 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
3,3,4,4-Tetramethylhexane
 H=-63.46 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52991513  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.55182165  1  114.6000787  1    0.0000000  0     2     1     0
  C     1.58061520  1  109.8620507  1 -178.8703929  1     3     2     1
  C     1.55205135  1  109.9206042  1 -178.6326940  1     4     3     2
  C     1.53019123  1  114.5506184  1 -178.4224071  1     5     4     3
  C     1.53927011  1  108.9373715  1  121.0410646  1     3     2     4
  C     1.53951551  1  108.8153301  1  117.8977381  1     3     2     7
  C     1.53944424  1  110.4992347  1  120.0564586  1     4     3     5
  C     1.53951304  1  110.3506731  1  119.7484111  1     4     3     9
  H     1.09501048  1  111.8392114  1  -59.6355946  1     1     2     3
  H     1.09508753  1  111.7879270  1  120.9150303  1     1     2    11
  H     1.09617719  1  110.6307354  1  119.5250096  1     1     2    12
  H     1.10690192  1  108.7074072  1 -122.6273125  1     2     1     3
  H     1.10696814  1  108.6638536  1 -114.9063477  1     2     1    14
  H     1.10671990  1  109.2689717  1  122.1969895  1     5     4     6
  H     1.10671730  1  109.2697537  1  115.6361633  1     5     4    16
  H     1.09492892  1  111.8079006  1  -59.6585379  1     6     5     4
  H     1.09498660  1  111.7761680  1  120.9237137  1     6     5    18
  H     1.09614199  1  110.6256522  1  119.5087042  1     6     5    19
  H     1.09433051  1  111.5442164  1  -55.3004572  1     7     3     2
  H     1.09413950  1  111.9226226  1 -120.9698321  1     7     3    21
  H     1.09569122  1  111.0340300  1 -119.2961061  1     7     3    22
  H     1.09420709  1  111.5624628  1   57.2453565  1     8     3     2
  H     1.09393034  1  111.9393355  1  121.1346463  1     8     3    24
  H     1.09579515  1  110.9940157  1  119.2131297  1     8     3    25
  H     1.09422575  1  111.5757564  1  -63.2820203  1     9     4     3
  H     1.09395182  1  111.9373626  1  121.1408475  1     9     4    27
  H     1.09577394  1  111.0108402  1  119.2061922  1     9     4    28
  H     1.09401494  1  111.9155972  1  -55.5213273  1    10     4     3
  H     1.09424689  1  111.5213016  1  121.0888570  1    10     4    30
  H     1.09566174  1  111.0808772  1  119.6827444  1    10     4    31