PM7 Accuracy

4-methyl heptane    266 4-Methyl heptane

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    #  Species Formula
   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 heptaneC8H18
   266 4-Methyl heptane C8H18
   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
   276 Tri-isopropylboraneH21BC9


DHf: -50.7 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-Methyl heptane
 HR=NIST H=-50.69
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52948428  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53427933  1  110.8325918  1    0.0000000  0     2     1     0
  C     1.54173083  1  111.7247376  1 -177.4686588  1     3     2     1
  C     1.54154955  1  109.3996379  1  165.4251801  1     4     3     2
  C     1.53461173  1  111.7675211  1 -165.3624654  1     5     4     3
  C     1.52868017  1  110.8163330  1  177.5897422  1     6     5     4
  C     1.53314882  1  110.5656434  1  122.0525011  1     4     3     5
  H     1.09558204  1  111.4119317  1  -59.2099277  1     1     2     3
  H     1.09555884  1  111.4474460  1  120.1027779  1     1     2     9
  H     1.09542666  1  111.1951094  1  119.9549857  1     1     2    10
  H     1.10615639  1  109.8255363  1  122.0836781  1     2     1     3
  H     1.10637357  1  109.8966871  1  116.0288316  1     2     1    12
  H     1.10654198  1  109.2292727  1  121.7931008  1     3     2     4
  H     1.10513401  1  110.0834513  1  115.6468490  1     3     2    14
  H     1.11628024  1  108.5468279  1  119.4950578  1     4     3     8
  H     1.10666913  1  109.7834651  1  121.4587253  1     5     4     6
  H     1.10508196  1  109.9445544  1  115.8875470  1     5     4    17
  H     1.10627661  1  110.0647973  1  121.9094707  1     6     5     7
  H     1.10630048  1  109.9605908  1  116.2135247  1     6     5    19
  H     1.09560079  1  111.4524992  1  -60.7644679  1     7     6     5
  H     1.09564158  1  111.4142100  1  120.1426490  1     7     6    21
  H     1.09554705  1  111.1949790  1  119.9267553  1     7     6    22
  H     1.09526402  1  111.3535316  1  179.1747121  1     8     4     3
  H     1.09512478  1  111.4645765  1  120.1034448  1     8     4    24
  H     1.09525800  1  111.3503075  1  120.1072624  1     8     4    25