PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: -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