PM7 Accuracy

1,1,4-trimethylcycloheptane    316 1,1,4-Trimethylcycloheptane

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    #  Species Formula
   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-TetramethylhexaneC10H22
   314 n-DecaneC10H22
   315 PentamethylbenzeneC11H16
   316 1,1,4-Trimethylcycloheptane C11H22
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8
   322 AcenaphtheneC12H10
   323 BiphenylC12H10
   324 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   325 HexamethylbenzeneC12H18
   326 HexylcyclohexaneC12H24


DHf: -50.3 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
1,1,4-Trimethylcycloheptane
 H=-50.26 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54658627  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53386968  1  115.6194877  1    0.0000000  0     2     1     0
  C     1.53951022  1  113.0860492  1  -87.1703104  1     3     2     1
  C     1.53431363  1  112.9385905  1  119.1379049  1     4     3     2
  C     1.54096109  1  113.0787651  1  -85.7761412  1     5     4     3
  C     1.54103804  1  112.0809995  1   61.9649639  1     6     5     4
  C     1.54589288  1  112.4726518  1   55.6819402  1     1     2     3
  C     1.54952146  1  106.7948457  1  117.1457417  1     1     2     8
  C     1.53563425  1  110.6566632  1  116.9335329  1     1     2     9
  C     1.53716895  1  108.8283282  1  121.4212733  1     6     5     7
  H     1.10685996  1  109.1198902  1 -123.6746636  1     2     1     3
  H     1.10810995  1  108.2134740  1 -114.0577597  1     2     1    12
  H     1.10698018  1  108.9275549  1 -121.5127413  1     3     2     4
  H     1.10552184  1  109.8809417  1 -114.4437340  1     3     2    14
  H     1.10662934  1  109.1070743  1  121.5793587  1     4     3     5
  H     1.10543245  1  110.5314764  1  115.1804378  1     4     3    16
  H     1.10769738  1  109.0559798  1 -121.1168065  1     5     4     6
  H     1.10503448  1  110.2659077  1 -115.3042588  1     5     4    18
  H     1.11555626  1  108.6269898  1  117.7993555  1     6     5    11
  H     1.10668425  1  109.6009602  1  149.3119536  1     7     6     5
  H     1.10439832  1  109.3506318  1 -114.3923241  1     7     6    21
  H     1.10784591  1  108.5778606  1  157.6706947  1     8     1     2
  H     1.10671806  1  108.1991705  1 -113.4461011  1     8     1    23
  H     1.09415663  1  111.1744148  1  175.3244130  1     9     1     2
  H     1.09365696  1  111.4331520  1  120.1592312  1     9     1    25
  H     1.09387353  1  111.2957478  1  120.1909846  1     9     1    26
  H     1.09520657  1  111.8594508  1   54.8182953  1    10     1     2
  H     1.09476533  1  111.1380233  1  120.0789224  1    10     1    28
  H     1.09479481  1  111.2871793  1  120.2079342  1    10     1    29
  H     1.09469018  1  111.4454926  1  -63.3984143  1    11     6     5
  H     1.09499248  1  111.2161791  1 -120.1823109  1    11     6    31
  H     1.09476992  1  111.3255810  1 -119.6520632  1    11     6    32