PM7 Accuracy

1,3,5-trimethyl cyclohexane    272 1,3,5-Trimethyl cyclohexane

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    #  Species Formula
   262 3-Ethyl hexaneC8H18
   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 cyclohexane C9H18
   273 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   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


DHf: -51.5 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
1,3,5-Trimethyl cyclohexane
 H=-51.48 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53836160  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53857483  1  109.9693668  1    0.0000000  0     2     1     0
  C     1.53847627  1  110.4435756  1  -58.1237928  1     3     2     1
  C     1.53851854  1  110.0295091  1   58.0337395  1     4     3     2
  C     1.53830792  1  110.4278483  1  -58.0855419  1     5     4     3
  C     1.53258006  1  110.1304730  1  121.5748705  1     2     1     3
  C     1.53264394  1  110.1205318  1  121.5987245  1     4     3     5
  C     1.53264564  1  110.1536959  1  179.8197659  1     6     5     4
  H     1.10400813  1  110.1037877  1 -179.9934549  1     1     2     3
  H     1.10464520  1  110.0688813  1  116.6161800  1     1     2    10
  H     1.11582395  1  108.8635432  1  119.2801826  1     2     1     7
  H     1.10393938  1  110.1068689  1 -121.8065919  1     3     2     4
  H     1.10476838  1  109.9856824  1 -116.5732888  1     3     2    13
  H     1.11591009  1  108.8476555  1  119.2491317  1     4     3     8
  H     1.10400635  1  110.0912724  1 -121.7608057  1     5     4     6
  H     1.10471104  1  110.0319892  1 -116.5994582  1     5     4    16
  H     1.11591973  1  108.9093701  1  119.2829451  1     6     5     9
  H     1.09513057  1  111.2537768  1  178.8885339  1     7     2     1
  H     1.09522994  1  111.4796947  1  120.0836004  1     7     2    19
  H     1.09514488  1  111.2551499  1  120.0423960  1     7     2    20
  H     1.09523749  1  111.4838474  1  -61.1958647  1     8     4     3
  H     1.09514502  1  111.2409402  1 -120.0367115  1     8     4    22
  H     1.09511703  1  111.2607918  1 -119.8885183  1     8     4    23
  H     1.09513596  1  111.2496356  1  178.9634946  1     9     6     5
  H     1.09524260  1  111.4970028  1  120.0760103  1     9     6    25
  H     1.09515905  1  111.2569294  1  120.0539188  1     9     6    26