Accuracy

tetralin    287 Tetralin

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    #  Species Formula
   277 Naphthalene (Geo)C10H8
   278 NaphthaleneC10H8
   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 Tetralin C10H12
   288 (1-Methylpropyl) benzeneC10H14
   289 (2-Methylpropyl) benzeneC10H14
   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


ΔHf: 6.2 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
Tetralin
 H=6.22 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53333661 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53105377 +1  109.6611252 +1    0.0000000 +0     2     1     0
  C     1.53340171 +1  109.6487598 +1  -64.3851836 +1     3     2     1
  C     1.49869315 +1  112.5297756 +1   48.2431332 +1     4     3     2
  C     1.49860230 +1  112.5287827 +1   48.2438620 +1     1     2     3
  C     1.39832176 +1  118.3844643 +1  163.3408888 +1     6     1     2
  C     1.39111319 +1  120.5823324 +1  178.8797188 +1     7     6     1
  C     1.39398163 +1  119.8460737 +1   -0.0617118 +1     8     7     6
  C     1.39836977 +1  118.3896147 +1  163.3914755 +1     5     4     3
  H     1.10909317 +1  109.5834153 +1  171.5262346 +1     1     2     3
  H     1.11182124 +1  109.6814026 +1  -72.9630033 +1     1     2     3
  H     1.10656961 +1  110.0156889 +1  -72.9713694 +1     2     1     6
  H     1.10472289 +1  110.2253486 +1  170.2850922 +1     2     1     6
  H     1.10468713 +1  110.6552254 +1  173.8205653 +1     3     2     1
  H     1.10658776 +1  110.0623177 +1   56.7899241 +1     3     2     1
  H     1.11179899 +1  109.6736431 +1  -72.9260050 +1     4     3     2
  H     1.10905684 +1  109.5949241 +1  171.5513816 +1     4     3     2
  H     1.08799322 +1  119.7323500 +1   -1.0804084 +1     7     6     1
  H     1.08745466 +1  120.0624140 +1  179.9369674 +1     8     7     6
  H     1.08748467 +1  120.0767481 +1  179.9678077 +1     9     8     7
  H     1.08801342 +1  119.7302078 +1   -1.1293947 +1    10     5     4