PM7 Accuracy

2,3-dimethyl-2,3-bis(4-t-butylphenyl)butane    423 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butane

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    #  Species Formula
   413 n-HexadecylcyclohexaneC22H44
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluoreneC26H18
   420 1,1,1,2-TetraphenylethaneC26H22
   421 1,1,2,2-TetraphenylethaneC26H22
   422 Pentacyclo hexacosa nonaneC26H26
   423 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butane C26H38
   424 11-n-butyl docosaneC26H54
   425 5-n-butyl docosaneC26H54
   426 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   427 1,1-Diphenyl-1,1-bicyclooctylC28H38
   428 11-Decyl heneicosaneC31H64
   429 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   430 DotriacontaneC32H66
   431 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   432 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decaneC38H62
   433 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62


DHf: -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