Accuracy

3-methyl pentane    198 3-Methyl pentane

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    #  Species Formula
   188 1-HexeneC6H12
   189 2,3-Dimethyl-1-buteneC6H12
   190 2,3-Dimethyl-2-buteneC6H12
   191 (Z)-3-Methyl-2-penteneC6H12
   192 4-Methyl-1-penteneC6H12
   193 Cyclohexane (Geo)C6H12
   194 CyclohexaneC6H12
   195 2,2-Dimethyl butaneC6H14
   196 2,3-Dimethyl butaneC6H14
   197 2-Methyl pentaneC6H14
   198 3-Methyl pentane C6H14
   199 n-HexaneC6H14
   200 Phenyl lithiumH5LiC6
   201 TriethylboraneH15BC6
   202 Benzyl, cationC7H7
   203 Tropylium, cationC7H7
   204 CycloheptatrieneC7H8
   205 NorbornadieneC7H8
   206 TolueneC7H8
   207 1,2-Dimethyl cyclopenteneC7H12
   208 1-Ethyl cyclopenteneC7H12


ΔHf: -41.1 kcal/mol,     REF: Assessment of Gaussian-3 and Density Functional Theories for a Larger Test Set" L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, Journal of Chemical Physics, 112, 7374 (2000).
  
 PM7
3-Methyl pentane
 H=-41.1 HR=G3-99
  C     0.03760296 +1  -0.10280684 +1  -0.04050889 +1
  C     1.28245241 +1   0.76656243 +1   0.13788907 +1
  C     2.04729637 +1   0.42517343 +1   1.43358580 +1
  C     3.44304903 +1   1.08089940 +1   1.38398280 +1
  C     4.38841140 +1   0.50832760 +1   2.44015079 +1
  C     1.26598244 +1   0.90772566 +1   2.66079364 +1
  H     0.28742853 +1  -1.16920195 +1  -0.01887941 +1
  H    -0.69900083 +1   0.07976779 +1   0.75028664 +1
  H    -0.45152165 +1   0.10312946 +1  -0.99948860 +1
  H     1.94893865 +1   0.63208193 +1  -0.73514350 +1
  H     1.00125022 +1   1.83593770 +1   0.13932105 +1
  H     2.17311279 +1  -0.68119871 +1   1.49557907 +1
  H     3.88744307 +1   0.93437314 +1   0.38053437 +1
  H     3.34646943 +1   2.17456016 +1   1.51405010 +1
  H     4.01553300 +1   0.68553452 +1   3.45476933 +1
  H     4.51662587 +1  -0.57314542 +1   2.31984815 +1
  H     5.38044220 +1   0.96863253 +1   2.37097148 +1
  H     1.79471786 +1   0.66893115 +1   3.58937683 +1
  H     1.11200324 +1   1.99138740 +1   2.63826944 +1
  H     0.27921868 +1   0.43504205 +1   2.71475067 +1