Accuracy

tetra-tert-butyltetrahedrane    400 Tetra-tert-butyltetrahedrane

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    #  Species Formula
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-TetradecylcyclopentaneC19H38
   392 n-TridecylcyclohexaneC19H38
   393 NonadecaneC19H40
   394 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   395 3,9-Dimethylbenz[a]anthraceneC20H16
   396 5,6-Dimethyl chryseneC20H16
   397 9,10-Dimethyl-1,2-benzanthraceneC20H16
   398 1,3,5-Tri-tert-butyl pentaleneC20H30
   399 HexacyclopropylethaneC20H30
   400 Tetra-tert-butyltetrahedrane C20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26
   405 HexadecylcyclopentaneC21H42
   406 PentadecylcyclohexaneC21H42
   407 Tri-n-heptylboraneH45BC21
   408 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   409 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38


ΔHf: 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