PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: 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