Accuracy

1,1,2,2-tetra-t-butylethane    385 1,1,2,2-Tetra-t-butylethane

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    #  Species Formula
   375 n-DodecylcyclopentaneC17H34
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethane C18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   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


ΔHf: -59.9 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.
  
 INT PM7
1,1,2,2-Tetra-t-butylethane
 H=-59.9 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.58641480 +1   0.00000000 +1   0.00000000 +1
  C     2.37707105 +1   1.36034283 +1   0.00000000 +1
  C     3.86047169 +1   1.11893879 +1   0.39873830 +1
  C     2.41819120 +1   2.18789007 +1  -1.29212643 +1
  C     1.83837683 +1   2.27082222 +1   1.12865344 +1
  C     2.22638540 +1  -1.16479211 +1  -0.88820382 +1
  C     3.26884720 +1  -1.92468247 +1  -0.01701332 +1
  C     2.93850583 +1  -0.72086456 +1  -2.17302694 +1
  C     1.23554428 +1  -2.27450992 +1  -1.31689500 +1
  C    -0.78745114 +1   0.83952555 +1  -1.07171703 +1
  C    -2.25878993 +1   0.34562103 +1  -1.16550181 +1
  C    -0.86044476 +1   2.36320425 +1  -0.89111235 +1
  C    -0.21453539 +1   0.54611672 +1  -2.47776946 +1
  C    -0.64222041 +1  -0.01138541 +1   1.46263933 +1
  C    -1.36809560 +1   1.27397847 +1   1.88288610 +1
  C    -1.67618345 +1  -1.17304256 +1   1.53016967 +1
  C     0.34318233 +1  -0.33871224 +1   2.61045666 +1
  H    -0.25161407 +1  -1.04426945 +1  -0.33546884 +1
  H     1.83604746 +1  -0.37755751 +1   1.03081161 +1
  H     3.93995434 +1   0.55414772 +1   1.33116512 +1
  H     4.41155283 +1   0.58183243 +1  -0.37802852 +1
  H     4.37632045 +1   2.07302357 +1   0.55001288 +1
  H     3.05310161 +1   1.73828309 +1  -2.05929932 +1
  H     0.06521897 +1   2.78158180 +1  -0.48708966 +1
  H     2.82841268 +1   3.18656745 +1  -1.10086957 +1
  H     2.04183741 +1   1.84839941 +1   2.11797155 +1
  H    -0.70562767 +1   2.14546226 +1   1.84083393 +1
  H     2.30199028 +1   3.26097739 +1   1.09922860 +1
  H     4.12919761 +1  -1.30700429 +1   0.24311052 +1
  H     2.82188348 +1  -2.28699704 +1   0.91288464 +1
  H     3.66151921 +1  -2.79579946 +1  -0.55140641 +1
  H     3.81070511 +1  -0.09235962 +1  -1.96612946 +1
  H     0.86120293 +1   0.74111963 +1  -2.52287375 +1
  H     3.30430139 +1  -1.58550372 +1  -2.73865836 +1
  H     0.48338067 +1  -1.90440474 +1  -2.02176071 +1
  H     0.72219326 +1  -2.71378009 +1  -0.45509990 +1
  H     1.76194632 +1  -3.09101056 +1  -1.82344728 +1
  H    -2.31117885 +1  -0.73356036 +1  -1.33258146 +1
  H    -2.83166130 +1   0.58137509 +1  -0.26462786 +1
  H    -2.77121228 +1   0.83066478 +1  -2.00313713 +1
  H     1.42779323 +1   2.32929078 +1  -1.73083352 +1
  H    -1.67032899 +1   2.66602612 +1  -0.22130528 +1
  H    -1.05128846 +1   2.86526887 +1  -1.84667517 +1
  H     2.26734461 +1  -0.16499500 +1  -2.83666117 +1
  H    -0.36746312 +1  -0.49973874 +1  -2.76358056 +1
  H    -0.69535634 +1   1.16271680 +1  -3.24245072 +1
  H     0.75443830 +1   2.41019218 +1   1.04990965 +1
  H    -2.24029733 +1   1.47953556 +1   1.25485630 +1
  H    -1.73551600 +1   1.19985495 +1   2.91286482 +1
  H    -2.49068515 +1  -1.05448907 +1   0.81503558 +1
  H    -1.20012125 +1  -2.13854899 +1   1.33682379 +1
  H    -2.13579977 +1  -1.22717603 +1   2.52219651 +1
  H     0.87286363 +1  -1.28071064 +1   2.43382156 +1
  H     1.08173100 +1   0.45566203 +1   2.75869712 +1
  H    -0.19226879 +1  -0.44837925 +1   3.56019028 +1