PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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

(Previous)     (Back)     (Next)        

   

    #  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


ΔHf: -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