PM7 Accuracy

1,3,5-tris(t-butyl) pentalene    400 1,3,5-Tri-tert-butyl pentalene

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    #  Species Formula
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentalene C20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentylC22H26


DHf: 3.4 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
1,3,5-Tri-tert-butyl pentalene
 H=3.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50564138  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.46946097  1  106.0286717  1    0.0000000  0     1     2     0
  C     1.35882660  1  107.4243143  1   -0.0223823  1     3     1     2
  C     1.35094045  1  108.6182968  1    0.0245429  1     2     1     3
  C     1.45689167  1  105.6242591  1 -179.9735116  1     2     1     5
  C     1.36222314  1  108.2321471  1    0.0119780  1     6     2     1
  C     1.34625779  1  108.8386181  1  179.9324464  1     1     2     3
  C     1.49292250  1  123.2204226  1 -179.9988984  1     3     1     4
  C     1.53954963  1  108.6431615  1  -59.9332711  1     9     3     1
  C     1.53957532  1  108.6576417  1  119.6926955  1     9     3    10
  C     1.53757784  1  111.2149146  1  120.1570373  1     9     3    11
  C     1.49260891  1  130.6786759  1 -179.8652202  1     5     2     1
  C     1.53949240  1  108.6029100  1  119.3823270  1    13     5     2
  C     1.53950235  1  108.6715967  1  119.8690553  1    13     5    14
  C     1.53682029  1  111.1952669  1  120.0759059  1    13     5    15
  C     1.49326089  1  128.7905405  1  179.8860198  1     7     6     2
  C     1.54017063  1  108.9835340  1  120.3039848  1    17     7     6
  C     1.54032400  1  108.8968501  1  119.8844314  1    17     7    18
  C     1.53851332  1  111.1532536  1  120.0369408  1    17     7    19
  H     1.06957404  1  127.9486659  1 -179.9966032  1     4     3     1
  H     1.07039696  1  123.5325617  1 -179.9971675  1     6     2     7
  H     1.07030632  1  129.6608275  1 -179.9569149  1     8     1     2
  H     1.09577649  1  111.0836666  1  -59.6394316  1    10     9     3
  H     1.09555340  1  111.3899217  1  119.5386444  1    10     9    24
  H     1.09386992  1  111.2264631  1  120.2847163  1    10     9    25
  H     1.09580380  1  111.0717779  1   59.6723283  1    11     9     3
  H     1.09553582  1  111.3963951  1 -119.5398649  1    11     9    27
  H     1.09386560  1  111.2268850  1 -120.2900780  1    11     9    28
  H     1.09530315  1  111.3408756  1  -60.1801475  1    12     9     3
  H     1.09532659  1  111.3272688  1  120.4293898  1    12     9    30
  H     1.09477219  1  111.0868724  1  119.7632925  1    12     9    31
  H     1.09499433  1  111.6349159  1   60.7088866  1    14    13     5
  H     1.09614026  1  111.0142868  1 -119.8396631  1    14    13    33
  H     1.09428492  1  111.1118659  1 -119.9211336  1    14    13    34
  H     1.09493428  1  111.6443509  1  -62.0150331  1    15    13     5
  H     1.09613661  1  111.0102366  1  119.9260876  1    15    13    36
  H     1.09435798  1  111.1146384  1  119.9070907  1    15    13    37
  H     1.09598893  1  111.1738431  1   60.0635592  1    16    13     5
  H     1.09604269  1  111.1620857  1 -119.9617273  1    16    13    39
  H     1.09429098  1  111.2890140  1 -120.0200927  1    16    13    40
  H     1.09586254  1  110.9539925  1  -58.3979596  1    18    17     7
  H     1.09447781  1  111.6200452  1  119.8178059  1    18    17    42
  H     1.09397406  1  111.1886056  1  120.2126330  1    18    17    43
  H     1.09586675  1  110.9644173  1   57.4308555  1    19    17     7
  H     1.09452758  1  111.5888745  1 -119.7637710  1    19    17    45
  H     1.09389909  1  111.2117535  1 -120.2144265  1    19    17    46
  H     1.09528808  1  111.2856804  1   59.8836983  1    20    17     7
  H     1.09532498  1  111.2632760  1 -120.3488962  1    20    17    48
  H     1.09445632  1  111.1651953  1 -119.7995150  1    20    17    49