PM7 Accuracy

norbornadiene    206 Norbornadiene

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    #  Species Formula
   196 2,2-Dimethyl butaneC6H14
   197 2,3-Dimethyl butaneC6H14
   198 2-Methyl pentaneC6H14
   199 3-Methyl pentaneC6H14
   200 n-HexaneC6H14
   201 Phenyl lithiumH5LiC6
   202 TriethylboraneH15BC6
   203 Benzyl, cationC7H7
   204 Tropylium, cationC7H7
   205 CycloheptatrieneC7H8
   206 Norbornadiene C7H8
   207 TolueneC7H8
   208 1,2-Dimethyl cyclopenteneC7H12
   209 1-Ethyl cyclopenteneC7H12
   210 1-Methyl cyclohexeneC7H12
   211 NorbornaneC7H12
   212 1,1-Dimethyl cyclopentaneC7H14
   213 1,2-cis-Dimethyl cyclopentaneC7H14
   214 1,2-trans-Dimethyl cyclopentaneC7H14
   215 1,3-cis-Dimethyl cyclopentaneC7H14
   216 1-HepteneC7H14


DHf: 59.7 kcal/mol,     REF: R. B. Turner, P. Goebel, B. J. Mallon, W. von E. Doering, J. F. Coburn, M. Pomerantz, J. Am. Chem. Soc., 90, 4315 (1968).
  
 PM7
Norbornadiene
 HR=TGMD1968 H=59.7
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.58077810  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.58098004  1   92.2327769  1    0.0000000  0     1     2     0
  C     1.53469449  1   98.5789502  1   53.1107107  1     2     1     3
  C     1.34609190  1  107.6890280  1  -35.6016492  1     4     2     1
  C     1.53471258  1   98.5546462  1  -53.1559050  1     2     1     3
  C     1.34607605  1  107.6852554  1   35.6037052  1     6     2     1
  H     1.09123554  1  113.8768704  1 -117.3678693  1     1     2     3
  H     1.09122706  1  113.8697712  1  117.3586557  1     1     2     3
  H     1.08497163  1  117.4499215  1  179.9942301  1     2     1     3
  H     1.08492892  1  117.4688840  1 -179.9932829  1     3     1     2
  H     1.06624451  1  121.8637082  1  145.0157609  1     4     2     1
  H     1.06619574  1  130.4634082  1 -179.3053119  1     5     4     2
  H     1.06621346  1  121.8693582  1 -144.9776940  1     6     2     1
  H     1.06615581  1  130.4592050  1  179.3208094  1     7     6     2