Accuracy

2-n-butyl-2-methylhexanenitrile    573 2-n-Butyl-2-methylhexanenitrile

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    #  Species Formula
   563 n-Nonyl cyanideC10H19N
   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-methylhexanenitrile C12H23N
   574 6,7-BenzoquinolineC13H9N
   575 a-BenzoquinolineC13H9N
   576 AcridineC13H9N
   577 Benzo[f]quinolineC13H9N
   578 PhenanthridineC13H9N
   579 N-MethylcarbazoleC13H11N
   580 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   581 9-Ethyl-9H-carbazoleC14H13N
   582 TetradecanenitrileC14H27N
   583 DioctylamineC16H35N


ΔHf: -31.8 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
2-n-Butyl-2-methylhexanenitrile
 H=-31.84 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52832275 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53550384 +1  110.5254359 +1    0.0000000 +0     2     1     0
  C     1.53211141 +1  110.5828819 +1 -179.4988011 +1     3     2     1
  C     1.54256299 +1  114.6394067 +1  171.9213837 +1     4     3     2
  C     1.56087918 +1  110.8351272 +1   55.7345969 +1     5     4     3
  C     1.44278636 +1  113.4238758 +1  -79.7096418 +1     6     5     4
  N     1.15749000 +1  146.2210489 +1  178.9937001 +1     7     5     6
  C     1.53136063 +1  111.0931137 +1 -122.4202706 +1     5     4     6
  C     1.55263415 +1  109.1608163 +1 -121.2548141 +1     5     4     9
  C     1.53358623 +1  113.9315116 +1   57.1004388 +1    10     5     4
  C     1.53573238 +1  110.4138388 +1  175.0496837 +1    11    10     5
  C     1.52858734 +1  110.7293257 +1  179.3684607 +1    12    11    10
  H     1.09624161 +1  111.4717109 +1  -59.9327689 +1     1     2     3
  H     1.09628152 +1  111.4405435 +1  119.8147372 +1     1     2    14
  H     1.09515147 +1  111.3631043 +1  120.0930064 +1     1     2    15
  H     1.10611593 +1  110.0884217 +1  121.7799464 +1     2     1     3
  H     1.10629652 +1  109.9460844 +1  116.4797979 +1     2     1    17
  H     1.10615171 +1  109.3991585 +1 -122.0981277 +1     3     2     4
  H     1.10654470 +1  109.7382120 +1 -115.7495654 +1     3     2    19
  H     1.10699058 +1  109.3201743 +1  123.4069930 +1     4     3     5
  H     1.10905767 +1  108.7824914 +1  114.7885932 +1     4     3    21
  H     1.11598354 +1  109.0469901 +1  123.3084280 +1     6     5     7
  H     1.11757766 +1  109.2888292 +1  114.7507081 +1     6     5    23
  H     1.09546195 +1  111.6848291 +1 -179.8669855 +1     9     5     4
  H     1.09597446 +1  111.5029151 +1  120.2254644 +1     9     5    25
  H     1.09748818 +1  111.9381608 +1  119.3592862 +1     9     5    26
  H     1.10754384 +1  109.0681926 +1  121.9731957 +1    10     5    11
  H     1.10666704 +1  109.4720742 +1  115.6004258 +1    10     5    28
  H     1.10624923 +1  110.4546584 +1 -121.4525153 +1    11    10    12
  H     1.10584272 +1  110.5529413 +1 -117.0942033 +1    11    10    30
  H     1.10645977 +1  110.0731562 +1  121.7043954 +1    12    11    13
  H     1.10611909 +1  110.1051633 +1  116.4837954 +1    12    11    32
  H     1.09580550 +1  111.4770342 +1   59.8543716 +1    13    12    11
  H     1.09573551 +1  111.5061100 +1 -120.1591031 +1    13    12    34
  H     1.09557803 +1  111.2741734 +1 -119.9458066 +1    13    12    35