PM7 Accuracy

1,2,6,7-cyclodecatetraene    287 1,2,6,7-Cyclodecatetraene

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    #  Species Formula
   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
   284 BulvaleneC10H10
   285 DiisopropenyldiacetyleneC10H10
   286 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10
   287 1,2,6,7-Cyclodecatetraene C10H12
   288 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   289 TetralinC10H12
   290 (1-Methylpropyl) benzeneC10H14
   291 (2-Methylpropyl) benzeneC10H14
   292 1,2,3,4-Tetramethyl benzeneC10H14
   293 1,2,3,4-TetramethylfulveneC10H14
   294 1,2,3,5-Tetramethyl benzeneC10H14
   295 1,2,4,5-Tetramethyl benzeneC10H14
   296 tert-Butyl benzeneC10H14
   297 TetrahydrotriquinaceneC10H14


DHf: 85.1 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
1,2,6,7-Cyclodecatetraene
 H=85.11 HR=NIST
  C    -0.00970557  1  -0.02828121  1  -0.00614324  1
  C     1.29523431  1  -0.04841413  1  -0.00397609  1
  C     2.60012551  1  -0.06737317  1   0.00009907  1
  C     3.41614670  1   0.84588796  1   0.86284949  1
  C     3.66979093  1   2.18957487  1   0.14744632  1
  C     2.56370479  1   3.16044816  1   0.42783000  1
  C     1.42508878  1   3.13290298  1  -0.20942080  1
  C     0.28552102  1   3.10447507  1  -0.84482595  1
  C    -0.88038418  1   2.29161614  1  -0.37128268  1
  C    -0.80201037  1   0.85260149  1  -0.92311527  1
  H    -0.59057317  1  -0.64932317  1   0.67551378  1
  H     3.16429427  1  -0.74418511  1  -0.64185932  1
  H     4.38300928  1   0.36700147  1   1.11503784  1
  H     2.91164594  1   1.02766015  1   1.83383662  1
  H     3.77514729  1   2.02001910  1  -0.94374063  1
  H     4.63967661  1   2.61084624  1   0.47779284  1
  H     2.76063069  1   3.89166137  1   1.21184067  1
  H     0.13123029  1   3.66332933  1  -1.76777681  1
  H    -1.82930518  1   2.76519522  1  -0.69288646  1
  H    -0.92087587  1   2.26651332  1   0.73681740  1
  H    -1.82472366  1   0.44651623  1  -1.05229553  1
  H    -0.35588757  1   0.86354391  1  -1.93864363  1