PM7 Accuracy

3-methyl pentane    199 3-Methyl pentane

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    #  Species Formula
   189 1-HexeneC6H12
   190 2,3-Dimethyl-1-buteneC6H12
   191 2,3-Dimethyl-2-buteneC6H12
   192 (Z)-3-Methyl-2-penteneC6H12
   193 4-Methyl-1-penteneC6H12
   194 Cyclohexane (Geo)C6H12
   195 CyclohexaneC6H12
   196 2,2-Dimethyl butaneC6H14
   197 2,3-Dimethyl butaneC6H14
   198 2-Methyl pentaneC6H14
   199 3-Methyl pentane C6H14
   200 n-HexaneC6H14
   201 Phenyl lithiumH5LiC6
   202 TriethylboraneH15BC6
   203 Benzyl, cationC7H7
   204 Tropylium, cationC7H7
   205 CycloheptatrieneC7H8
   206 NorbornadieneC7H8
   207 TolueneC7H8
   208 1,2-Dimethyl cyclopenteneC7H12
   209 1-Ethyl cyclopenteneC7H12


DHf: -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