PM7 Accuracy

cis-cis-trans-1,3,5-trimethyl cyclohexane    273 cis-cis-trans-1,3,5-Trimethyl cyclohexane

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    #  Species Formula
   263 3-Ethyl-2-methyl pentaneC8H18
   264 3-Ethyl-3-methyl pentaneC8H18
   265 3-Methyl heptaneC8H18
   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 cyclohexane C9H18
   274 3,3-DiethylpentaneC9H20
   275 n-NonaneC9H20
   276 Tri-isopropylboraneH21BC9
   277 TripropylboraneH21BC9
   278 AzuleneC10H8
   279 Naphthalene (Geo)C10H8
   280 NaphthaleneC10H8
   281 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   282 1-Butynl benzeneC10H10
   283 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10


DHf: -49.4 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
cis-cis-trans-1,3,5-Trimethyl cyclohexane
 H=-49.37 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53956282  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53947929  1  110.4563693  1    0.0000000  0     2     1     0
  C     1.53817003  1  112.2888196  1  -53.4957807  1     3     2     1
  C     1.53751771  1  110.2164341  1   56.2406791  1     4     3     2
  C     1.53765140  1  110.2315106  1  -58.4049866  1     5     4     3
  H     1.11917846  1  107.8459805  1  117.5854924  1     2     1     3
  C     1.53335661  1  110.0206112  1  121.6362237  1     4     3     5
  C     1.53317396  1  110.1327997  1 -179.8210733  1     6     5     4
  H     1.10470106  1  109.8032812  1  176.2337414  1     1     2     3
  H     1.10599312  1  109.2987289  1  115.9881084  1     1     2    10
  C     1.53317250  1  111.3822443  1  118.0379152  1     2     1     7
  H     1.10470713  1  109.8299906  1 -122.5570206  1     3     2     4
  H     1.10630281  1  109.1679687  1 -115.8204555  1     3     2    13
  H     1.11620545  1  108.7573448  1  119.1076191  1     4     3     8
  H     1.10414042  1  110.1021822  1 -121.7451183  1     5     4     6
  H     1.10481349  1  110.0780481  1 -116.5831671  1     5     4    16
  H     1.11588548  1  108.8873626  1  119.2383215  1     6     5     9
  H     1.09493011  1  111.1968951  1 -178.3921899  1    12     2     1
  H     1.09487492  1  111.2081033  1  120.1478117  1    12     2    19
  H     1.09537198  1  111.6138399  1  119.9473073  1    12     2    20
  H     1.09506867  1  111.5206720  1  -61.4268373  1     8     4     3
  H     1.09512563  1  111.1846584  1 -120.0470770  1     8     4    22
  H     1.09508865  1  111.2257095  1 -119.8240645  1     8     4    23
  H     1.09508317  1  111.2074673  1  179.0319053  1     9     6     5
  H     1.09504892  1  111.5209116  1  120.1465315  1     9     6    25
  H     1.09514437  1  111.1948255  1  120.0543308  1     9     6    26