Accuracy

1,2,6,7-cyclodecatetraene    285 1,2,6,7-Cyclodecatetraene

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    #  Species Formula
   275 TripropylboraneH21BC9
   276 AzuleneC10H8
   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-Cyclodecatetraene C10H12
   286 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   287 TetralinC10H12
   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


ΔHf: 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