PM7 Accuracy

n-undecanenitrile    571 n-Undecanenitrile

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    #  Species Formula
   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 isocyanideC11H15N
   570 2-Methyl-6-t-butylanilineC11H17N
   571 n-Undecanenitrile C11H21N
   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
   580 PhenanthridineC13H9N
   581 N-MethylcarbazoleC13H11N


DHf: -27.1 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-Undecanenitrile
 H=-27.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53416070  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53396421  1  110.7086861  1    0.0000000  0     2     1     0
  C     1.53426259  1  110.5746966  1 -179.9669592  1     3     2     1
  C     1.53248807  1  110.5103577  1 -179.9205720  1     4     3     2
  C     1.53868418  1  110.4482389  1 -179.9863307  1     5     4     3
  C     1.44422642  1  110.6157993  1 -179.8867328  1     6     5     4
  N     1.15669103  1  144.0966430  1 -179.9906082  1     7     5     6
  H     1.10603665  1  110.0629581  1  -58.0625493  1     1     2     3
  H     1.10591257  1  110.0671417  1  116.3110386  1     1     2     9
  H     1.10586050  1  109.9653688  1  121.9108910  1     2     1     3
  H     1.10595154  1  109.9392888  1  116.2291941  1     2     1    11
  H     1.10622954  1  109.9670683  1 -121.9115516  1     3     2     4
  H     1.10632770  1  109.9438963  1 -116.2353896  1     3     2    13
  H     1.10644745  1  109.8584371  1  121.9444644  1     4     3     5
  H     1.10652839  1  109.8363324  1  116.1588779  1     4     3    15
  H     1.10749022  1  110.1850446  1 -121.8630720  1     5     4     6
  H     1.10758838  1  110.1672012  1 -116.3198839  1     5     4    17
  H     1.11631209  1  109.9760479  1  122.2721970  1     6     5     7
  H     1.11630372  1  110.0006097  1  115.4880778  1     6     5    19
  C     1.53392687  1  110.6880751  1  121.8019950  1     1     2    10
  C     1.53394717  1  110.6834003  1  179.9963469  1    21     1     2
  C     1.53470945  1  110.7714637  1 -179.9944194  1    22    21     1
  C     1.52862405  1  110.8806763  1  179.9800265  1    23    22    21
  H     1.10580470  1  110.0676992  1 -121.8603982  1    21     1    22
  H     1.10592038  1  110.0410599  1 -116.3519689  1    21     1    25
  H     1.10575226  1  110.1062975  1  121.8584959  1    22    21    23
  H     1.10583988  1  110.0812177  1  116.3290126  1    22    21    27
  H     1.10623159  1  110.0157023  1 -121.9081673  1    23    22    24
  H     1.10634856  1  109.9895021  1 -116.2433647  1    23    22    29
  H     1.09570255  1  111.4527041  1  -60.0020717  1    24    23    22
  H     1.09568514  1  111.4405944  1  120.1332293  1    24    23    31
  H     1.09560536  1  111.2336266  1  119.9217487  1    24    23    32