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

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


ΔHf: -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