PM7 Accuracy

1-methyldiadamantane    358 1-Methyldiadamantane

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    #  Species Formula
   348 DiadamantaneC14H20
   349 1,3,5,7-TetramethyladamantaneC14H24
   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-Methyldiadamantane C15H22
   359 3-MethyladamantaneC15H22
   360 4-MethyldiadamantaneC15H22
   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


DHf: -39.8 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-Methyldiadamantane
 H=-39.85 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54796269  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54557854  1  109.3119120  1    0.0000000  0     2     1     0
  C     1.54566617  1  108.9889555  1  -60.3853306  1     3     2     1
  C     1.54798500  1  109.3209924  1   60.3864718  1     4     3     2
  C     1.54985014  1  109.2803046  1  -61.2368345  1     5     4     3
  H     1.11117049  1  109.3326894  1 -179.2557386  1     1     2     3
  C     1.53961973  1  108.6653912  1  119.4071412  1     1     2     7
  C     1.53697351  1  110.3196986  1 -120.3340122  1     2     1     3
  H     1.11213401  1  109.0560632  1 -120.1633636  1     2     1     9
  H     1.11191884  1  109.3548648  1 -119.4889262  1     3     2     4
  C     1.53720621  1  109.8381700  1 -120.1491636  1     3     2    11
  H     1.11214319  1  109.3227598  1  119.3210447  1     4     3     5
  C     1.53693632  1  109.4095519  1  119.7875991  1     4     3    13
  H     1.11115778  1  109.3426956  1 -119.4761714  1     5     4     6
  C     1.53956766  1  108.6582960  1 -119.4334809  1     5     4    15
  C     1.53621512  1  111.2287464  1 -176.2837443  1     6     5     4
  C     1.54706772  1  109.4255478  1  118.3642698  1     6     5    17
  C     1.53927432  1  109.9070851  1   60.7371408  1     8     1     2
  H     1.10343146  1  110.4291807  1  121.9789076  1     8     1    19
  H     1.10432221  1  109.9450173  1  116.6275910  1     8     1    20
  C     1.53573601  1  110.5608944  1   59.2086166  1    18     6     5
  H     1.10392222  1  110.2296619  1  -61.2062804  1     9     2     1
  H     1.10387946  1  110.2159573  1 -117.0186424  1     9     2    23
  H     1.10373055  1  110.2692276  1  178.5962921  1    12     3     2
  H     1.10374414  1  110.2580620  1 -117.0528862  1    12     3    25
  H     1.10392878  1  110.2356227  1 -178.5370950  1    14     4     3
  H     1.10388692  1  110.2144994  1  117.0203378  1    14     4    27
  H     1.10434058  1  109.9495664  1   60.6711769  1    16     5     4
  H     1.10345974  1  110.4306504  1  116.6064031  1    16     5    29
  H     1.10395567  1  109.8865749  1 -121.7334449  1    18     6    22
  H     1.10397033  1  109.8724442  1 -116.5457287  1    18     6    31
  H     1.11237709  1  109.5319949  1  178.9898366  1    19     8     1
  H     1.11273610  1  109.6331591  1 -179.9811471  1    22    18     6
  H     1.09481270  1  111.1422306  1   59.8920336  1    17     6     5
  H     1.09484855  1  111.1261985  1  120.1073928  1    17     6    35
  H     1.09475531  1  111.9006465  1  119.9262107  1    17     6    36