PM7 Accuracy

2,2,3,3-tetramethyl butane    249 2,2,3,3-Tetramethyl butane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   239 2-OctyneC8H14
   240 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
   241 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   242 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   243 3-OctyneC8H14
   244 4-OctyneC8H14
   245 Bicyclo(2.2.2)-octaneC8H14
   246 Bicyclo-2,2,2-octaneC8H14
   247 1-OcteneC8H16
   248 EthylcyclohexaneC8H16
   249 2,2,3,3-Tetramethyl butane C8H18
   250 2,2,3,3-TetramethylbutaneC8H18
   251 2,2,3-Trimethyl pentaneC8H18
   252 2,2,4-Trimethyl pentaneC8H18
   253 2,2-Dimethyl hexaneC8H18
   254 2,3,3-Trimethyl pentaneC8H18
   255 2,3,4-Trimethyl pentaneC8H18
   256 2,3-Dimethyl hexaneC8H18
   257 2,4-Dimethyl hexaneC8H18
   258 2,5-Dimethyl hexaneC8H18
   259 2-Methyl heptaneC8H18


DHf: -54.0 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
2,2,3,3-Tetramethyl butane
 HR=NIST H=-53.99
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54103284  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.56623107  1  111.0109161  1    0.0000000  0     2     1     0
  C     1.54140260  1  111.0786733  1  179.5160536  1     3     2     1
  C     1.54116977  1  111.1057405  1  119.9249906  1     3     2     4
  C     1.54119316  1  111.1241539  1  119.9992791  1     3     2     5
  C     1.54090678  1  107.8512916  1  121.8641302  1     2     1     3
  C     1.54093833  1  107.8424357  1  116.1885685  1     2     1     7
  H     1.09425073  1  111.6464120  1  -60.6929961  1     1     2     3
  H     1.09408767  1  111.6628518  1  120.8315882  1     1     2     9
  H     1.09526210  1  110.9698966  1  119.6294637  1     1     2    10
  H     1.09426388  1  111.6393490  1  -60.6955512  1     4     3     2
  H     1.09411973  1  111.6529051  1  120.7942911  1     4     3    12
  H     1.09524586  1  110.9879133  1  119.6419544  1     4     3    13
  H     1.09421665  1  111.6364893  1  -60.7287298  1     5     3     2
  H     1.09407837  1  111.6668812  1  120.8185053  1     5     3    15
  H     1.09524764  1  110.9720569  1  119.6430201  1     5     3    16
  H     1.09425428  1  111.6439873  1  -60.8427130  1     6     3     2
  H     1.09411744  1  111.6526287  1  120.8023096  1     6     3    18
  H     1.09525386  1  110.9766459  1  119.6429693  1     6     3    19
  H     1.09426210  1  111.6359844  1  177.5328399  1     7     2     1
  H     1.09414401  1  111.6596975  1  120.8080344  1     7     2    21
  H     1.09525345  1  110.9737905  1  119.6307884  1     7     2    22
  H     1.09428435  1  111.6461710  1   60.8881661  1     8     2     1
  H     1.09414645  1  111.6577838  1  120.8141103  1     8     2    24
  H     1.09526241  1  110.9762479  1  119.6519299  1     8     2    25