PM7 Accuracy

1-adamantyl isocyanide    569 1-Adamantyl isocyanide

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    #  Species Formula
   559 4-Methyl-quinolineC10H9N
   560 6-Methyl-quinolineC10H9N
   561 8-Methyl-quinolineC10H9N
   562 2,4,6-Trimethyl-benzonitrileC10H11N
   563 2,4,6-Trimethylphenyl isocyanideC10H11N
   564 N,N-Diethyl anilineC10H15N
   565 n-Nonyl cyanideC10H19N
   566 2,6-Dimethyl quinolineC11H11N
   567 2,7-Dimethyl quinolineC11H11N
   568 1-Adamantyl cyanideC11H15N
   569 1-Adamantyl isocyanide C11H15N
   570 2-Methyl-6-t-butylanilineC11H17N
   571 n-UndecanenitrileC11H21N
   572 CarbazoleC12H9N
   573 2-BiphenylamineC12H11N
   574 BiphenylamineC12H11N
   575 2-n-Butyl-2-methylhexanenitrileC12H23N
   576 6,7-BenzoquinolineC13H9N
   577 a-BenzoquinolineC13H9N
   578 AcridineC13H9N
   579 Benzo[f]quinolineC13H9N


DHf: 17.5 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
1-Adamantyl isocyanide
 H=17.48 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53977484  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53982750  1  109.6813521  1    0.0000000  0     2     1     0
  C     1.53974940  1  109.5226079  1  -59.6966421  1     3     2     1
  C     1.53976895  1  109.6815156  1   59.6614022  1     4     3     2
  C     1.53978429  1  109.5152195  1   59.6946445  1     1     2     3
  C     1.53757889  1  109.5496416  1 -120.1250570  1     1     2     6
  H     1.11338920  1  109.4921016  1 -119.8036432  1     1     2     7
  H     1.10416922  1  110.1566729  1 -121.4126907  1     2     1     3
  H     1.10401865  1  110.2709444  1 -116.9614778  1     2     1     9
  H     1.11340924  1  109.4996366  1 -120.0825630  1     3     2     4
  C     1.53772095  1  109.5187727  1 -119.7716871  1     3     2    11
  H     1.10417781  1  110.1654813  1 -121.4156601  1     4     3     5
  H     1.10404565  1  110.2673103  1 -116.9632040  1     4     3    13
  H     1.11341070  1  109.4963136  1 -179.7353886  1     5     4     3
  C     1.53766257  1  109.5042488  1 -119.7693318  1     5     4    15
  H     1.10403413  1  110.2659111  1  178.7147148  1     6     1     2
  H     1.10417132  1  110.1650398  1 -116.9553384  1     6     1    17
  C     1.55056071  1  108.8987986  1   60.0456368  1     7     1     2
  H     1.10378877  1  110.6353018  1  121.3113218  1     7     1    19
  H     1.10384484  1  110.6166655  1  117.3942395  1     7     1    20
  H     1.10376007  1  110.6354556  1  178.5732249  1    12     3     2
  H     1.10383261  1  110.6120212  1 -117.3909974  1    12     3    22
  H     1.10375455  1  110.6337780  1  178.5796495  1    16     5     4
  H     1.10383128  1  110.6201920  1 -117.3982853  1    16     5    24
  N     1.43254381  1  109.2954789  1  179.9895261  1    19     7     1
  C     1.17834401  1  143.1068197  1  179.8979628  1    26     7    19