Accuracy

bulvalene    204 Bulvalene

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    #  Species Formula
   194 Cyclopropyl benzeneC9H10
   195 1,3,5-Trimethyl cyclohexaneC9H18
   196 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   197 n-NonaneC9H20
   198 3,3-DiethylpentaneC9H20
   199 AzuleneC10H8
   200 Naphthalene (Geo)C10H8
   201 NaphthaleneC10H8
   202 1-Butynl benzeneC10H10
   203 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   204 Bulvalene C10H10
   205 DiisopropenyldiacetyleneC10H10
   206 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10
   207 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10
   208 TetralinC10H12
   209 1,2,6,7-CyclodecatetraeneC10H12
   210 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   211 (1-Methylpropyl) benzeneC10H14
   212 (2-Methylpropyl) benzeneC10H14
   213 1,2,3,4-Tetramethyl benzeneC10H14
   214 1,2,3,4-TetramethylfulveneC10H14


ΔHf: 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.
  

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