PM7 Accuracy

4-methyldiadamantane    360 4-Methyldiadamantane

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    #  Species Formula
   350 (E)-3,4-Di-tert-butyl-3-hexeneC14H28
   351 CyclotetradecaneC14H28
   352 n-NonylcyclopentaneC14H28
   353 OctylcyclohexaneC14H28
   354 3,3,4,4-TetraethylhexaneC14H30
   355 OctamethylhexaneC14H30
   356 TetradecaneC14H30
   357 4-MethylphenanthreneC15H12
   358 1-MethyldiadamantaneC15H22
   359 3-MethyladamantaneC15H22
   360 4-Methyldiadamantane C15H22
   361 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   362 n-NonylcyclohexaneC15H30
   363 PentadecaneC15H32
   364 FluorantheneC16H10
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]MetacyclophaneC16H16


DHf: -43.5 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
4-Methyldiadamantane
 H=-43.53 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54507903  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54507772  1  109.2024792  1    0.0000000  0     2     1     0
  C     1.54514181  1  109.0971411  1  -60.7793377  1     3     2     1
  C     1.54500128  1  109.2095985  1   60.7796754  1     4     3     2
  C     1.54508468  1  109.1021663  1  -60.7617271  1     5     4     3
  H     1.11167591  1  109.3722214  1 -179.6060195  1     1     2     3
  C     1.53826945  1  109.7230995  1  120.1544485  1     1     2     7
  C     1.53715600  1  109.7464704  1 -120.3526637  1     2     1     3
  H     1.11191040  1  109.3438087  1 -120.0352931  1     2     1     9
  H     1.11167924  1  109.3761689  1 -119.5929526  1     3     2     4
  C     1.53815688  1  109.7214960  1 -120.1757651  1     3     2    11
  H     1.11192788  1  109.3357617  1  119.6110059  1     4     3     5
  C     1.53714740  1  109.7638246  1  120.0457534  1     4     3    13
  H     1.11167454  1  109.3745590  1 -119.5988714  1     5     4     6
  C     1.53815790  1  109.7210937  1 -120.1792383  1     5     4    15
  H     1.11189597  1  109.3476321  1 -179.6222601  1     6     5     4
  C     1.53725396  1  109.7466157  1  120.0314497  1     6     5    17
  C     1.53959377  1  109.6941723  1   59.9343963  1     8     1     2
  H     1.10376476  1  110.1739925  1  121.5218497  1     8     1    19
  H     1.10377963  1  110.1675529  1  116.9572288  1     8     1    20
  C     1.54289712  1  109.9112603  1   60.0034514  1    18     6     5
  H     1.10365478  1  110.1460963  1  -61.5933227  1     9     2     1
  H     1.10369290  1  110.1389563  1 -116.8453520  1     9     2    23
  H     1.10377282  1  110.1801390  1  178.5577019  1    12     3     2
  H     1.10380096  1  110.1688637  1 -116.9594577  1    12     3    25
  H     1.10365680  1  110.1524545  1 -178.4097145  1    14     4     3
  H     1.10369346  1  110.1392044  1  116.8508072  1    14     4    27
  H     1.10376738  1  110.1799095  1   61.6034671  1    16     5     4
  H     1.10377395  1  110.1752791  1  116.9636587  1    16     5    29
  H     1.10364758  1  110.1514219  1 -121.5886647  1    18     6    22
  H     1.10368724  1  110.1333451  1 -116.8484938  1    18     6    31
  H     1.11225589  1  109.5603065  1  179.9957254  1    19     8     1
  C     1.53414570  1  109.8283558  1  179.9980807  1    22    18     6
  H     1.09487243  1  111.3306078  1  179.9464404  1    34    22    18
  H     1.09486287  1  111.3286383  1  119.9955005  1    34    22    35
  H     1.09486282  1  111.3361281  1  120.0001272  1    34    22    36