PM7 Accuracy

   286 Tricyclo[6.2.0.0]deca-1(8),2,6-triene

(Previous)     (Back)     (Next)
     

    #  Species Formula
   276 Tri-isopropylboraneH21BC9
   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-triene C10H10
   287 1,2,6,7-CyclodecatetraeneC10H12
   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



DHf: 74.0 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.

  

Tricyclo[6.2.0.0]deca-1(8),2,6-triene
 H=74 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.38908878  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.42440767  1  124.0286463  1    0.0000000  0     2     1     0   0.0000
  C     1.38911734  1  123.9577863  1   -0.0089943  1     3     2     1   0.0000
  C     1.38968115  1  112.0363096  1    0.0003648  1     4     3     2   0.0000
  C     1.38960051  1  112.0053482  1    0.0113410  1     1     2     3   0.0000
  C     1.51200719  1  143.1211045  1  179.9594643  1     6     1     2   0.0000
  C     1.51204089  1  143.1221873  1 -179.9611839  1     5     4     3   0.0000
  C     1.51211858  1   92.8639633  1 -179.9858548  1     3     2     1   0.0000
  C     1.51190077  1  143.0736260  1 -179.9608754  1     2     1     6   0.0000
  H     1.08009393  1  124.1202582  1 -179.9958571  1     1     2     3   0.0000
  H     1.08020151  1  124.1188440  1 -179.9952786  1     4     3     2   0.0000
  H     1.09429625  1  115.2519066  1   63.9834745  1     7     6     1   0.0000
  H     1.09429943  1  115.2348375  1  -63.9387835  1     7     6     1   0.0000
  H     1.09433221  1  115.2278897  1   63.9484396  1     8     5     4   0.0000
  H     1.09432449  1  115.2453489  1  -63.9757484  1     8     5     4   0.0000
  H     1.09435059  1  115.2356536  1 -116.0578263  1     9     3     2   0.0000
  H     1.09435077  1  115.2195668  1  116.0422982  1     9     3     2   0.0000
  H     1.09432181  1  115.2350792  1   63.9470682  1    10     2     1   0.0000
  H     1.09431368  1  115.2527100  1  -63.9704664  1    10     2     1   0.0000