Accuracy

2,3-dimethyl-2,3-bis(4-t-butylphenyl)butane    421 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butane

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    #  Species Formula
   411 n-HexadecylcyclohexaneC22H44
   412 p-QuaterphenylC24H18
   413 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24
   416 TetraphenylmethaneC25H20
   417 9,9'-Bi-9H-fluoreneC26H18
   418 1,1,1,2-TetraphenylethaneC26H22
   419 1,1,2,2-TetraphenylethaneC26H22
   420 Pentacyclo hexacosa nonaneC26H26
   421 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butane C26H38
   422 11-n-butyl docosaneC26H54
   423 5-n-butyl docosaneC26H54
   424 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   425 1,1-Diphenyl-1,1-bicyclooctylC28H38
   426 11-Decyl heneicosaneC31H64
   427 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   428 DotriacontaneC32H66
   429 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   430 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decaneC38H62
   431 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62


ΔHf: -33.3 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
2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butane
 H=-33.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39174653 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39728357 +1  121.0946914 +1    0.0000000 +0     1     2     0
  C     1.39643217 +1  120.9163990 +1    0.3189638 +1     2     1     3
  C     1.39651481 +1  118.1066799 +1   -0.6252793 +1     4     2     1
  C     1.51557415 +1  120.9826789 +1 -178.1609918 +1     4     2     1
  C     1.39751153 +1  117.8758316 +1    0.0235943 +1     3     1     2
  C     1.51742467 +1  121.0541677 +1  179.1074435 +1     3     1     2
  C     1.53984647 +1  111.4399549 +1 -150.7006348 +1     6     4     2
  C     1.53975839 +1  111.5290101 +1  -30.5069008 +1     6     4     2
  C     1.54020920 +1  107.3762936 +1   89.3965161 +1     6     4     2
  C     1.54234974 +1  110.1927719 +1  148.5249595 +1     8     3     1
  C     1.57786787 +1  109.0760909 +1  -89.5087438 +1     8     3     1
  C     1.54235427 +1  110.1718022 +1   32.3967598 +1     8     3     1
  C     1.54239286 +1  110.8817804 +1   58.2296773 +1    13     8     3
  C     1.51753075 +1  109.1148400 +1  179.7472456 +1    13     8     3
  C     1.54240764 +1  110.8929751 +1  -58.7600888 +1    13     8     3
  C     1.39735197 +1  121.0432254 +1  -89.4869119 +1    16    13     8
  C     1.39748967 +1  121.0574992 +1   89.2821625 +1    16    13     8
  C     1.39176570 +1  121.0782834 +1  178.9076098 +1    18    16    13
  C     1.39627508 +1  120.9284469 +1    0.3299521 +1    20    18    16
  C     1.39160751 +1  121.0702489 +1 -178.8916496 +1    19    16    13
  C     1.51555730 +1  120.9939985 +1 -178.2581740 +1    21    20    18
  C     1.54015404 +1  107.3991057 +1   89.4013227 +1    23    21    20
  C     1.53983839 +1  111.4270268 +1 -150.6923366 +1    23    21    20
  C     1.53969349 +1  111.5359402 +1  -30.5082107 +1    23    21    20
  H     1.08885578 +1  118.5855991 +1  179.9861935 +1     1     2     4
  H     1.08820652 +1  118.7613899 +1 -179.3839002 +1     2     1     3
  H     1.08830337 +1  120.2774330 +1 -179.1678722 +1     5     4     2
  H     1.08878677 +1  120.3068044 +1  179.7417290 +1     7     3     1
  H     1.09556214 +1  110.9801931 +1   53.7091648 +1     9     6     4
  H     1.09512058 +1  111.1429700 +1  173.4779945 +1     9     6     4
  H     1.09447324 +1  111.9715600 +1  -67.0181037 +1     9     6     4
  H     1.09448307 +1  111.9747672 +1   66.9877426 +1    10     6     4
  H     1.09516539 +1  111.1323688 +1 -173.5277083 +1    10     6     4
  H     1.09555462 +1  110.9933008 +1  -53.7760215 +1    10     6     4
  H     1.09532523 +1  111.2128897 +1   59.6686643 +1    11     6     4
  H     1.09395514 +1  111.2676343 +1  179.8948814 +1    11     6     4
  H     1.09532325 +1  111.1908273 +1  -59.8938840 +1    11     6     4
  H     1.09592056 +1  110.6436150 +1  -52.9413597 +1    12     8     3
  H     1.09322842 +1  112.7466083 +1   67.7653940 +1    12     8     3
  H     1.09716158 +1  111.0655325 +1 -172.1707143 +1    12     8     3
  H     1.09318075 +1  112.7465690 +1  -67.9007749 +1    14     8     3
  H     1.09586660 +1  110.6498083 +1   52.8210269 +1    14     8     3
  H     1.09718466 +1  111.0616903 +1  172.0580672 +1    14     8     3
  H     1.09320828 +1  112.7448593 +1   52.9323629 +1    15    13     8
  H     1.09582655 +1  110.6489772 +1  173.6588558 +1    15    13     8
  H     1.09716822 +1  111.0701035 +1  -67.1186644 +1    15    13     8
  H     1.09584328 +1  110.6430701 +1 -173.7828168 +1    17    13     8
  H     1.09321081 +1  112.7462684 +1  -53.0741315 +1    17    13     8
  H     1.09714448 +1  111.0650224 +1   66.9846875 +1    17    13     8
  H     1.08885278 +1  120.3080012 +1   -0.8403924 +1    18    16    13
  H     1.08885964 +1  120.2863667 +1    0.8680129 +1    19    16    13
  H     1.08818493 +1  118.7525279 +1 -179.4411642 +1    20    18    16
  H     1.08827139 +1  118.7892305 +1  179.3858127 +1    22    19    16
  H     1.09397409 +1  111.2648147 +1  179.8844577 +1    24    23    21
  H     1.09537341 +1  111.1910398 +1  -59.9082980 +1    24    23    21
  H     1.09537155 +1  111.2109483 +1   59.6619727 +1    24    23    21
  H     1.09450345 +1  111.9827338 +1  -66.9134666 +1    25    23    21
  H     1.09557958 +1  110.9819454 +1   53.8178535 +1    25    23    21
  H     1.09512320 +1  111.1416144 +1  173.5819049 +1    25    23    21
  H     1.09516115 +1  111.1289276 +1 -173.6380136 +1    26    23    21
  H     1.09556931 +1  110.9966140 +1  -53.8906914 +1    26    23    21
  H     1.09452201 +1  111.9800341 +1   66.8766256 +1    26    23    21