PM7 Accuracy

cyclopropyl benzene    271 Cyclopropyl benzene

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    #  Species Formula
   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 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 benzene C9H10
   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
   277 TripropylboraneH21BC9
   278 AzuleneC10H8
   279 Naphthalene (Geo)C10H8
   280 NaphthaleneC10H8
   281 1,4-Dicyclopropylbuta-1,3-diyneC10H10


DHf: 36.0 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
Cyclopropyl benzene
 H=36.02 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39660479  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39278106  1  119.9510771  1    0.0000000  0     2     1     0
  C     1.39400650  1  120.1084577  1   -0.0459501  1     3     2     1
  C     1.39393096  1  119.9559401  1   -0.0999013  1     4     3     2
  C     1.39649590  1  119.9184653  1    0.2366906  1     1     2     3
  C     1.47947624  1  120.0204324  1  178.9344449  1     1     2     3
  C     1.51571929  1  120.1082019  1   55.4237459  1     7     1     2
  C     1.51573833  1  120.1056142  1  125.6230116  1     7     1     2
  H     1.08795258  1  119.7980793  1 -179.8190062  1     2     1     6
  H     1.08819325  1  119.8988188  1  179.9762165  1     3     2     1
  H     1.08752409  1  120.0155422  1  179.9439468  1     4     3     2
  H     1.08820542  1  120.0135025  1 -179.9503204  1     5     4     3
  H     1.08795195  1  119.8071240  1  179.8044749  1     6     1     2
  H     1.09970457  1  111.8641875  1  -89.4822002  1     7     1     2
  H     1.08719254  1  119.4755566  1    0.2959148  1     8     7     1
  H     1.08562119  1  119.6898229  1 -140.8923703  1     8     7     1
  H     1.08558924  1  119.6912191  1  140.8821932  1     9     7     1
  H     1.08718942  1  119.4732565  1   -0.3020377  1     9     7     1