PM7 Accuracy

1-adamantyl cyanide    568 1-Adamantyl cyanide

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    #  Species Formula
   558 2-Methyl-quinolineC10H9N
   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 cyanide C11H15N
   569 1-Adamantyl isocyanideC11H15N
   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


DHf: -1.8 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 cyanide
 H=-1.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53969332  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53975315  1  109.6278866  1    0.0000000  0     2     1     0
  C     1.53965746  1  109.5280600  1  -59.7590530  1     3     2     1
  C     1.53972262  1  109.6298886  1   59.7224982  1     4     3     2
  C     1.53966320  1  109.5487627  1  -59.7081417  1     5     4     3
  C     1.53924462  1  109.4880024  1  -60.2858788  1     1     2     3
  H     1.11312232  1  109.5144132  1 -119.8334493  1     1     2     7
  H     1.10396087  1  110.1765895  1 -121.4065559  1     2     1     3
  H     1.10400330  1  110.3311550  1 -116.8858431  1     2     1     9
  H     1.11312003  1  109.5269961  1 -120.1426469  1     3     2     4
  C     1.53940705  1  109.4684041  1 -119.8159351  1     3     2    11
  H     1.10396965  1  110.1873744  1 -121.4071397  1     4     3     5
  H     1.10402923  1  110.3297966  1 -116.8904617  1     4     3    13
  H     1.11310316  1  109.5253578  1 -120.1468756  1     5     4     6
  C     1.53932604  1  109.4539728  1 -119.8242093  1     5     4    15
  H     1.10404272  1  110.3223945  1 -178.5931456  1     6     5     4
  H     1.10395888  1  110.1815339  1  116.8746602  1     6     5    17
  C     1.54586476  1  109.0736949  1   60.0399222  1     7     1     2
  H     1.10476790  1  110.3363621  1  121.4119246  1     7     1    19
  H     1.10477171  1  110.3327035  1  117.1730569  1     7     1    20
  H     1.10478018  1  110.3308629  1  178.5201182  1    12     3     2
  H     1.10479533  1  110.3216285  1 -117.1537560  1    12     3    22
  H     1.10476491  1  110.3315609  1  178.5274012  1    16     5     4
  H     1.10479783  1  110.3293197  1 -117.1611006  1    16     5    24
  C     1.45552803  1  109.3131692  1  179.9627982  1    19     7     1
  N     1.15625864  1  143.4766118  1  179.9233933  1    26     7    19