Accuracy

1-adamantyl cyanide    566 1-Adamantyl cyanide

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    #  Species Formula
   556 2-Methyl-quinolineC10H9N
   557 4-Methyl-quinolineC10H9N
   558 6-Methyl-quinolineC10H9N
   559 8-Methyl-quinolineC10H9N
   560 2,4,6-Trimethyl-benzonitrileC10H11N
   561 2,4,6-Trimethylphenyl isocyanideC10H11N
   562 N,N-Diethyl anilineC10H15N
   563 n-Nonyl cyanideC10H19N
   564 2,6-Dimethyl quinolineC11H11N
   565 2,7-Dimethyl quinolineC11H11N
   566 1-Adamantyl cyanide C11H15N
   567 1-Adamantyl isocyanideC11H15N
   568 2-Methyl-6-t-butylanilineC11H17N
   569 n-UndecanenitrileC11H21N
   570 CarbazoleC12H9N
   571 2-BiphenylamineC12H11N
   572 BiphenylamineC12H11N
   573 2-n-Butyl-2-methylhexanenitrileC12H23N
   574 6,7-BenzoquinolineC13H9N
   575 a-BenzoquinolineC13H9N
   576 AcridineC13H9N


ΔHf: -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