PM7 Accuracy

1,4-dicyclopropylbuta-1,3-diyne    281 1,4-Dicyclopropylbuta-1,3-diyne

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    #  Species Formula
   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 AzuleneC10H8
   279 Naphthalene (Geo)C10H8
   280 NaphthaleneC10H8
   281 1,4-Dicyclopropylbuta-1,3-diyne C10H10
   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
   289 TetralinC10H12
   290 (1-Methylpropyl) benzeneC10H14
   291 (2-Methylpropyl) benzeneC10H14


DHf: 134.3 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
1,4-Dicyclopropylbuta-1,3-diyne
 H=134.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52453111  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52453068  1   59.0977854  1    0.0000000  0     1     2     0
  C     6.61800006  1  119.4010968  1 -108.5276488  1     1     2     3
  C     1.52450403  1  119.1605682  1 -105.3166615  1     4     1     2
  C     1.52447573  1   59.0950161  1  108.5195419  1     4     5     1
  C     1.41465715  1  119.1612415  1 -108.4515222  1     4     5     6
  C     1.21670249  1  179.8255521  1  -69.0176014  1     7     4     5
  C     1.41456702  1  119.2309495  1 -108.4416830  1     1     2     3
  C     1.35542069  1  179.8582360  1  150.7058916  1     8     7     5
  H     1.10388512  1  117.7517873  1  107.3891335  1     1     2     3
  H     1.08590285  1  119.1849425  1 -110.2531629  1     2     1     3
  H     1.08777560  1  119.2592573  1  109.6856657  1     2     1     3
  H     1.08778398  1  119.2590176  1 -109.6842131  1     3     1     2
  H     1.08592094  1  119.1887425  1  110.2470553  1     3     1     2
  H     1.10385004  1  117.7856048  1  107.4012542  1     4     5     6
  H     1.08587315  1  119.2033609  1 -110.2642463  1     5     4     6
  H     1.08776423  1  119.2518478  1  109.6702567  1     5     4     6
  H     1.08776281  1  119.2480325  1 -109.6787000  1     6     4     5
  H     1.08590343  1  119.2070877  1  110.2536579  1     6     4     5