Accuracy

tri-t-butylmethane    331 Tri-t-butylmethane

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    #  Species Formula
   321 BiphenylC12H10
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26
   326 Tri-isobutylboraneH27BC12
   327 Tri-s-butylboraneH27BC12
   328 TributylboraneH27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethane C13H28
   332 TridecaneC13H28
   333 AnthraceneC14H10
   334 DiphenylethyneC14H10
   335 PhenanthreneC14H10
   336 9,10-Dihydro-phenanthreneC14H12
   337 9-Methyl-9H-fluoreneC14H12
   338 OctaleneC14H12
   339 StilbeneC14H12
   340 1,2,3,4-TetrahydrophenanthreneC14H14
   341 4,4'-DimethylbiphenylC14H14


ΔHf: -56.2 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
Tri-t-butylmethane
 H=-56.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.58099750 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.58085210 +1  114.6050279 +1    0.0000000 +0     1     2     0
  C     1.58071758 +1  114.5854949 +1  135.4855771 +1     1     2     3
  H     1.12353563 +1  103.6665197 +1  112.2629260 +1     1     2     4
  C     1.53675609 +1  114.1130275 +1  -49.9221217 +1     2     1     3
  C     1.54735495 +1  113.6223218 +1 -122.0370540 +1     2     1     6
  C     1.55584178 +1  109.9753793 +1 -115.2624092 +1     2     1     7
  C     1.55655904 +1  109.9076007 +1 -151.8836206 +1     3     1     2
  C     1.53671611 +1  114.1698484 +1 -122.6295618 +1     3     1     9
  C     1.54733364 +1  113.6583483 +1 -122.1507472 +1     3     1    10
  C     1.54748689 +1  113.6146179 +1 -172.0382092 +1     4     1     2
  C     1.53678221 +1  114.2325789 +1  122.1109083 +1     4     1    12
  C     1.55645221 +1  109.9161397 +1  122.7198069 +1     4     1    13
  H     1.09357434 +1  111.6313264 +1  -57.5093474 +1     6     2     1
  H     1.09483833 +1  112.3375777 +1  120.5427314 +1     6     2    15
  H     1.09558917 +1  110.9387282 +1  119.5741703 +1     6     2    16
  H     1.09356840 +1  111.2667208 +1  -57.0187954 +1     7     2     1
  H     1.09358851 +1  112.4692995 +1  122.5314750 +1     7     2    18
  H     1.09653577 +1  110.6950529 +1  118.4191874 +1     7     2    19
  H     1.09189396 +1  112.4878073 +1  -92.8986231 +1     8     2     1
  H     1.09276081 +1  111.6414835 +1  122.0708447 +1     8     2    21
  H     1.09552484 +1  111.5608438 +1  119.6106052 +1     8     2    22
  H     1.09203108 +1  112.5156748 +1  -93.9717094 +1     9     3     1
  H     1.09270077 +1  111.6526300 +1  122.0685985 +1     9     3    24
  H     1.09546965 +1  111.5710550 +1  119.6157243 +1     9     3    25
  H     1.09476170 +1  112.3550565 +1   61.8593200 +1    10     3     1
  H     2.07759663 +1  102.9420401 +1  -86.3230559 +1    16     6     2
  H     1.09577977 +1  110.8843185 +1  119.5107380 +1    10     3    27
  H     1.09353267 +1  111.2632097 +1  -57.1554722 +1    11     3     1
  H     1.96666376 +1  117.2664251 +1   34.1847770 +1    21     8     2
  H     1.09669821 +1  110.6168085 +1 -119.0029353 +1    11     3    30
  H     1.09346929 +1  111.3223941 +1  -57.4094695 +1    12     4     1
  H     1.96683591 +1  116.5039086 +1   35.5076437 +1    24     9     3
  H     1.09665128 +1  110.6239975 +1 -119.0660414 +1    12     4    33
  H     2.05937926 +1  104.4913315 +1  -85.6630440 +1    27    10     3
  H     2.05714824 +1  122.3185761 +1  -15.9642222 +1    15     6     2
  H     1.09574450 +1  110.8381802 +1 -179.1219240 +1    13     4     1
  H     1.97960327 +1  103.8947417 +1  -96.0553613 +1    19     7     2
  H     1.09258895 +1  111.7173261 +1   28.1302710 +1    14     4     1
  H     1.09554006 +1  111.5233074 +1  119.6193800 +1    14     4    40