PM7 Accuracy

3-methyl heptane    265 3-Methyl heptane

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    #  Species Formula
   255 2,3,4-Trimethyl pentaneC8H18
   256 2,3-Dimethyl hexaneC8H18
   257 2,4-Dimethyl hexaneC8H18
   258 2,5-Dimethyl hexaneC8H18
   259 2-Methyl heptaneC8H18
   260 3,3-Dimethyl hexaneC8H18
   261 3,4-Dimethyl hexaneC8H18
   262 3-Ethyl hexaneC8H18
   263 3-Ethyl-2-methyl pentaneC8H18
   264 3-Ethyl-3-methyl pentaneC8H18
   265 3-Methyl heptane C8H18
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   269 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   270 alpha-Methyl styreneC9H10
   271 Cyclopropyl benzeneC9H10
   272 1,3,5-Trimethyl cyclohexaneC9H18
   273 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   274 3,3-DiethylpentaneC9H20
   275 n-NonaneC9H20


DHf: -50.8 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
3-Methyl heptane
 HR=NIST H=-50.82
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52920991  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53463623  1  110.8869545  1    0.0000000  0     2     1     0
  C     1.53359074  1  110.6376553  1 -179.7980541  1     3     2     1
  C     1.54183929  1  111.6838625  1 -178.2044700  1     4     3     2
  C     1.54258189  1  109.4177277  1  165.4540800  1     5     4     3
  C     1.52874365  1  111.8898755  1 -165.6220247  1     6     5     4
  C     1.53306111  1  110.5751946  1  122.0497171  1     5     4     6
  H     1.09553996  1  111.4388739  1  -59.7118018  1     1     2     3
  H     1.09554100  1  111.4245247  1  120.1031216  1     1     2     9
  H     1.09538686  1  111.2168659  1  119.9339535  1     1     2    10
  H     1.10620623  1  109.9319002  1  122.0310572  1     2     1     3
  H     1.10632093  1  109.9226024  1  116.1088070  1     2     1    12
  H     1.10566260  1  109.8267354  1  122.0879513  1     3     2     4
  H     1.10586150  1  109.9429533  1  116.0204484  1     3     2    14
  H     1.10651076  1  109.3006451  1  121.7652778  1     4     3     5
  H     1.10521532  1  110.1195413  1  115.7916635  1     4     3    16
  H     1.11614035  1  108.6083371  1  119.5291840  1     5     4     8
  H     1.10704082  1  109.6914670  1  121.4953433  1     6     5     7
  H     1.10543018  1  109.8315662  1  115.8220642  1     6     5    19
  H     1.09552359  1  111.5451595  1  -63.3624617  1     7     6     5
  H     1.09546866  1  111.4747205  1  120.2346803  1     7     6    21
  H     1.09558367  1  111.1110195  1  119.9640947  1     7     6    22
  H     1.09529864  1  111.2379530  1  178.9223285  1     8     5     4
  H     1.09483659  1  111.5240672  1  120.1687731  1     8     5    24
  H     1.09522087  1  111.3557813  1  120.1409772  1     8     5    25