PM7 Accuracy

diisopropenyldiacetylene    285 Diisopropenyldiacetylene

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    #  Species Formula
   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 BulvaleneC10H10
   285 Diisopropenyldiacetylene C10H10
   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
   295 1,2,4,5-Tetramethyl benzeneC10H14


DHf: 118.1 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
Diisopropenyldiacetylene
 H=118.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.49560761  1    0.0000000  0    0.0000000  0     1     0     0
  C     6.60963989  1  114.8804975  1    0.0000000  0     1     2     0
  C     1.49561752  1  114.8035073  1  179.6806623  1     3     1     2
  C     1.33983210  1  123.3427384  1 -179.9490023  1     1     2     3
  C     1.33977636  1  123.3369485  1 -179.9492580  1     3     4     1
  C     2.62744710  1  114.8345827  1  179.9663934  1     1     2     5
  C     1.35483058  1  179.9037923  1   -5.5900840  1     7     1     2
  C     1.40955518  1  115.0045618  1  179.9468890  1     1     2     5
  C     1.40956842  1  115.0089557  1  179.9906695  1     3     4     6
  H     1.10066492  1  111.1556485  1  120.2884194  1     2     1     5
  H     1.09754028  1  112.5120142  1   -0.1321935  1     2     1     5
  H     1.10066715  1  111.1712554  1 -120.5714121  1     2     1     5
  H     1.10060330  1  111.1572573  1  120.4543369  1     4     3     6
  H     1.09749920  1  112.5227967  1    0.0225621  1     4     3     6
  H     1.10061235  1  111.1629445  1 -120.4176170  1     4     3     6
  H     1.07925606  1  123.3960792  1  179.9925165  1     5     1     2
  H     1.07775454  1  123.5448713  1   -0.0094015  1     5     1     2
  H     1.07923521  1  123.3969215  1  179.9893632  1     6     3     4
  H     1.07773374  1  123.5313161  1   -0.0149953  1     6     3     4