Accuracy

(2-methylpropyl) benzene    289 (2-Methylpropyl) benzene

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    #  Species Formula
   279 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   280 1-Butynl benzeneC10H10
   281 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10
   282 BulvaleneC10H10
   283 DiisopropenyldiacetyleneC10H10
   284 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10
   285 1,2,6,7-CyclodecatetraeneC10H12
   286 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   287 TetralinC10H12
   288 (1-Methylpropyl) benzeneC10H14
   289 (2-Methylpropyl) benzene C10H14
   290 1,2,3,4-Tetramethyl benzeneC10H14
   291 1,2,3,4-TetramethylfulveneC10H14
   292 1,2,3,5-Tetramethyl benzeneC10H14
   293 1,2,4,5-Tetramethyl benzeneC10H14
   294 tert-Butyl benzeneC10H14
   295 TetrahydrotriquinaceneC10H14
   296 1,2,3,4,5-Pentamethyl-1,3-cyclopentadieneC10H16
   297 AdamantaneC10H16
   298 CampheneC10H16
   299 PerhydrotriquinaceneC10H16


ΔHf: -5.2 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
(2-Methylpropyl) benzene
 H=-5.15 HR=NIST
  C    -0.01430789 +1  -0.00257883 +1   0.00601912 +1
  C     1.37066483 +1   0.08526503 +1   0.13010224 +1
  C     1.93764473 +1   1.00419763 +1   1.01561432 +1
  C     1.10840344 +1   1.83488082 +1   1.77440902 +1
  C    -0.27525297 +1   1.74496292 +1   1.64788516 +1
  C    -0.83936883 +1   0.82596099 +1   0.76417982 +1
  H    -0.45171190 +1  -0.72131443 +1  -0.68419191 +1
  H     3.69874217 +1   1.15646196 +1   2.23227342 +1
  H     3.92439920 +1   0.18727867 +1   0.78027545 +1
  H     3.36718887 +1   3.22893081 +1   0.70473067 +1
  H     2.01072901 +1  -0.56266890 +1  -0.46380176 +1
  C     3.42496974 +1   1.10052310 +1   1.15852882 +1
  H     1.54645151 +1   2.55272876 +1   2.46417772 +1
  H    -0.91774360 +1   2.39231734 +1   2.24157716 +1
  H    -1.91970049 +1   0.75536076 +1   0.66802823 +1
  H     4.52798912 +1   1.32904825 +1  -1.44393126 +1
  H     2.85992712 +1   1.91414887 +1  -1.40881531 +1
  H     4.19264893 +1   3.05346231 +1  -1.63368915 +1
  H     6.05995790 +1   1.70612272 +1   0.60930208 +1
  H     5.52063935 +1   2.78677635 +1   1.90092294 +1
  H     5.86142106 +1   3.43186947 +1   0.29304140 +1
  C     3.97691001 +1   2.33855536 +1   0.41655949 +1
  C     3.88639627 +1   2.14707816 +1  -1.10081702 +1
  C     5.43417349 +1   2.57742782 +1   0.82967924 +1