PM7 Accuracy

bulvalene    284 Bulvalene

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    #  Species Formula
   274 3,3-DiethylpentaneC9H20
   275 n-NonaneC9H20
   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 Bulvalene C10H10
   285 DiisopropenyldiacetyleneC10H10
   286 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10
   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


DHf: 79.8 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
Bulvalene
 H=79.85 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50274614  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33866444  1  124.5402161  1    0.0000000  0     2     1     0
  C     1.46709263  1  125.7635784  1   -0.0499862  1     3     2     1
  C     1.53123057  1  122.4488560  1  -36.3438924  1     4     3     2
  C     1.46700199  1  122.3972490  1    0.0550417  1     5     4     3
  C     1.50265791  1  110.3055324  1   61.1649699  1     1     2     3
  C     1.53121776  1  122.4774358  1   36.3436640  1     4     3     2
  C     1.46702916  1  122.3999243  1   -0.0252221  1     8     4     3
  C     1.50259300  1  110.3698934  1  -61.0393122  1     1     2     3
  H     1.12390181  1  108.5682410  1 -179.9533700  1     1     2     3
  H     1.08854848  1  114.5500727  1 -118.8228186  1     2     1     7
  H     1.09324997  1  119.9982156  1  179.9884970  1     3     2     1
  H     1.10198335  1  112.1035896  1 -179.9864030  1     4     3     2
  H     1.10180436  1  115.3504022  1 -142.5506519  1     5     4     3
  H     1.09333470  1  114.2313231  1 -143.6743950  1     6     5     4
  H     1.08851315  1  114.5571766  1  118.8230523  1     7     1     2
  H     1.10183124  1  115.3482183  1  142.5929010  1     8     4     3
  H     1.09335434  1  114.2298930  1  143.7135763  1     9     8     4
  H     1.08856670  1  114.5487126  1 -118.8684866  1    10     1     2