Accuracy

n-nonyl cyanide    563 n-Nonyl cyanide

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    #  Species Formula
   553 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   554 Decahydro trans-quinolineC9H17N
   555 2,2,6,6-Tetramethyl piperidineC9H19N
   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 cyanide C10H19N
   564 2,6-Dimethyl quinolineC11H11N
   565 2,7-Dimethyl quinolineC11H11N
   566 1-Adamantyl cyanideC11H15N
   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


ΔHf: -21.9 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
n-Nonyl cyanide
 H=-21.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52882464 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53464542 +1  110.9196143 +1    0.0000000 +0     2     1     0
  C     1.53387702 +1  110.7704466 +1  179.8491311 +1     3     2     1
  C     1.53405135 +1  110.7284065 +1  179.9577981 +1     4     3     2
  C     1.53405537 +1  110.6657902 +1  179.8683679 +1     5     4     3
  C     1.53432297 +1  110.6476477 +1  179.9974234 +1     6     5     4
  C     1.53248954 +1  110.4694168 +1  179.8966136 +1     7     6     5
  C     1.53865247 +1  110.5013181 +1  179.9997050 +1     8     7     6
  C     1.44447659 +1  110.5771632 +1  179.9000279 +1     9     8     7
  N     1.15669238 +1  144.1055387 +1 -179.9854667 +1    10     8     9
  H     1.09560605 +1  111.4639643 +1  -59.9735999 +1     1     2     3
  H     1.09559986 +1  111.4530285 +1  120.1562137 +1     1     2    12
  H     1.09564207 +1  111.2021144 +1  119.9100865 +1     1     2    13
  H     1.10634748 +1  109.9375395 +1  121.9835082 +1     2     1     3
  H     1.10641835 +1  109.9255782 +1  116.1366202 +1     2     1    15
  H     1.10576979 +1  109.9308860 +1  121.9855929 +1     3     2     4
  H     1.10589869 +1  109.9299912 +1  116.1069127 +1     3     2    17
  H     1.10602764 +1  109.9864924 +1  121.9347171 +1     4     3     5
  H     1.10612113 +1  109.9736970 +1  116.2307244 +1     4     3    19
  H     1.10590607 +1  109.9520623 +1  121.9338345 +1     5     4     6
  H     1.10603445 +1  109.9510747 +1  116.2004971 +1     5     4    21
  H     1.10631086 +1  109.9312196 +1  121.9596653 +1     6     5     7
  H     1.10640839 +1  109.9163004 +1  116.1779609 +1     6     5    23
  H     1.10644829 +1  109.8408963 +1  121.9615926 +1     7     6     8
  H     1.10656654 +1  109.8423977 +1  116.1356403 +1     7     6    25
  H     1.10756636 +1  110.1583058 +1  121.9045712 +1     8     7     9
  H     1.10762469 +1  110.1554770 +1  116.2789612 +1     8     7    27
  H     1.11639964 +1  109.9646527 +1  122.2583500 +1     9     8    10
  H     1.11629229 +1  110.0247514 +1  115.5181832 +1     9     8    29