PM7 Accuracy

tetra-tert-butyltetrahedrane    402 Tetra-tert-butyltetrahedrane

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    #  Species Formula
   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 pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedrane C20H36
   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
   411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   412 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38


DHf: 6.2 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
Tetra-tert-butyltetrahedrane
 H=6.2 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50159685  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50156791  1   60.0046199  1    0.0000000  0     1     2     0
  C     1.50146088  1   60.0039359  1  -70.5253350  1     1     2     3
  C     1.46634409  1  144.7106122  1 -144.8667366  1     2     1     3
  C     1.53982104  1  109.2353412  1  -73.3440397  1     5     2     1
  C     1.53971379  1  109.2677892  1  166.6655742  1     5     2     1
  C     1.53986060  1  109.2280934  1   46.6689226  1     5     2     1
  C     1.46639584  1  144.7607388  1 -144.9469506  1     4     1     2
  C     1.53977363  1  109.2463200  1  166.8448897  1     9     4     1
  C     1.53981360  1  109.2239761  1   46.8633848  1     9     4     1
  C     1.53978704  1  109.2423434  1  -73.1393463  1     9     4     1
  C     1.46638007  1  144.7456395  1  144.4463114  1     3     1     2
  C     1.53976607  1  109.2390241  1  -73.0873447  1    13     3     1
  C     1.53976667  1  109.2594826  1  166.9191586  1    13     3     1
  C     1.53987839  1  109.2258797  1   46.9015013  1    13     3     1
  C     1.46637292  1  144.7349674  1  144.6543543  1     1     2     3
  C     1.53977336  1  109.2481252  1   46.5013132  1    17     1     2
  C     1.53983307  1  109.2396022  1  166.4966894  1    17     1     2
  C     1.53977875  1  109.2507878  1  -73.4992407  1    17     1     2
  H     1.09352634  1  111.3001468  1  177.1574911  1     6     5     2
  H     1.09561546  1  110.9713737  1   56.7775900  1     6     5     2
  H     1.09554554  1  110.9701664  1  -62.4888043  1     6     5     2
  H     1.09552784  1  110.9698225  1  -62.4323168  1     7     5     2
  H     1.09355383  1  111.2826663  1  177.2293518  1     7     5     2
  H     1.09562597  1  110.9843320  1   56.8455330  1     7     5     2
  H     1.09551013  1  110.9668192  1  -62.2952160  1     8     5     2
  H     1.09352438  1  111.2993506  1  177.3575095  1     8     5     2
  H     1.09559678  1  110.9857150  1   56.9671998  1     8     5     2
  H     1.09354841  1  111.2956737  1  177.2047399  1    10     9     4
  H     1.09562092  1  110.9787751  1   56.8122170  1    10     9     4
  H     1.09553355  1  110.9591163  1  -62.4499141  1    10     9     4
  H     1.09550429  1  110.9739016  1  -62.4548393  1    11     9     4
  H     1.09355069  1  111.2922490  1  177.1936126  1    11     9     4
  H     1.09560891  1  110.9832045  1   56.8078228  1    11     9     4
  H     1.09353071  1  111.2979328  1  177.3837446  1    12     9     4
  H     1.09560460  1  110.9765856  1   56.9990321  1    12     9     4
  H     1.09554673  1  110.9645372  1  -62.2643554  1    12     9     4
  H     1.09352456  1  111.3037060  1  177.3887500  1    14    13     3
  H     1.09559310  1  110.9699406  1   57.0065301  1    14    13     3
  H     1.09552747  1  110.9718539  1  -62.2544066  1    14    13     3
  H     1.09354907  1  111.2915598  1  177.2380049  1    15    13     3
  H     1.09562155  1  110.9719872  1   56.8563503  1    15    13     3
  H     1.09552438  1  110.9720466  1  -62.4105116  1    15    13     3
  H     1.09549303  1  110.9735031  1  -62.2742041  1    16    13     3
  H     1.09353837  1  111.2921875  1  177.3795701  1    16    13     3
  H     1.09559623  1  110.9805535  1   56.9899370  1    16    13     3
  H     1.09352417  1  111.2907798  1  177.1251199  1    18    17     1
  H     1.09563573  1  110.9773087  1   56.7445128  1    18    17     1
  H     1.09551050  1  110.9775559  1  -62.5301007  1    18    17     1
  H     1.09553140  1  110.9693075  1  -62.3703623  1    19    17     1
  H     1.09351267  1  111.2990617  1  177.2820126  1    19    17     1
  H     1.09562561  1  110.9742638  1   56.9004018  1    19    17     1
  H     1.09351589  1  111.2922719  1  177.3776261  1    20    17     1
  H     1.09560858  1  110.9809731  1   56.9970598  1    20    17     1
  H     1.09553057  1  110.9721243  1  -62.2808652  1    20    17     1