PM7 Accuracy

azulene    278 Azulene

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    #  Species Formula
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   269 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   270 alpha-Methyl styreneC9H10
   271 Cyclopropyl benzeneC9H10
   272 1,3,5-Trimethyl cyclohexaneC9H18
   273 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   274 3,3-DiethylpentaneC9H20
   275 n-NonaneC9H20
   276 Tri-isopropylboraneH21BC9
   277 TripropylboraneH21BC9
   278 Azulene C10H8
   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-CyclodecatetraeneC10H12
   288 Dispiro[2.2.2.2]deca-4,9-dieneC10H12


DHf: 73.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Azulene
 H=73.5 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48112736  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.37998827  1  107.7030920  1    0.0000000  0     2     1     0
  C     1.44511558  1  108.8364850  1    0.0063069  1     3     2     1
  C     1.36971865  1  109.2250568  1   -0.0035345  1     4     3     2
  C     1.41865014  1  126.6342441  1 -179.9880782  1     2     1     5
  C     1.35736513  1  128.2499026  1   -0.0039260  1     6     2     1
  C     1.42507315  1  129.1404114  1   -0.0011477  1     7     6     2
  C     1.35901410  1  129.8916957  1    0.0050427  1     8     7     6
  C     1.42367182  1  128.8354874  1   -0.0029742  1     9     8     7
  H     1.06978052  1  127.1886967  1 -179.9976788  1     3     2     1
  H     1.07331353  1  123.5701650  1  179.9978750  1     4     3     2
  H     1.06954940  1  127.7750066  1  179.9996760  1     5     4     3
  H     1.10256801  1  114.1731573  1  179.9906483  1     6     2     1
  H     1.10077129  1  116.8966284  1  179.9969140  1     7     6     2
  H     1.10328441  1  113.6254168  1 -179.9926794  1     8     7     6
  H     1.10041808  1  117.0195744  1 -179.9994432  1     9     8     7
  H     1.10197879  1  114.9176201  1  179.9926577  1    10     9     8