PM7 Accuracy

tetradecanenitrile    584 Tetradecanenitrile

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    #  Species Formula
   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
   582 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   583 9-Ethyl-9H-carbazoleC14H13N
   584 Tetradecanenitrile C14H27N
   585 DioctylamineC16H35N
   586 TriphenylamineC18H15N
   587 TrioctylamineC24H51N
   588 Nitrogen (Geo)N2
   589 NitrogenN2
   590 DiazeneH2N2
   591 HydrazineH4N2
   592 BH3-NH3, dimer (Geo)H12B2N2
   593 DiazomethaneCH2N2
   594 N=N-CH2-CH2N2


DHf: -41.8 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
Tetradecanenitrile
 H=-41.78 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52885948  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53456670  1  110.9589952  1    0.0000000  0     2     1     0
  C     1.53383162  1  110.7464707  1  179.9342445  1     3     2     1
  C     1.53403650  1  110.7497800  1  179.9044049  1     4     3     2
  C     1.53397726  1  110.6688713  1  179.9028102  1     5     4     3
  C     1.53400123  1  110.7255284  1  179.9112202  1     6     5     4
  C     1.53389794  1  110.6742832  1  179.9031633  1     7     6     5
  C     1.53392756  1  110.7224453  1  179.9262591  1     8     7     6
  C     1.53393294  1  110.6625571  1  179.8954679  1     9     8     7
  C     1.53422603  1  110.6488644  1  179.9384458  1    10     9     8
  C     1.53243164  1  110.4694291  1  179.8851581  1    11    10     9
  C     1.53860413  1  110.4939250  1  179.9613542  1    12    11    10
  C     1.44425255  1  110.5775571  1  179.8429620  1    13    12    11
  N     1.15661464  1  144.0998846  1  179.9866983  1    14    12    13
  H     1.09559663  1  111.4511567  1  -59.9464269  1     1     2     3
  H     1.09559028  1  111.4398934  1  120.1305722  1     1     2    16
  H     1.09551951  1  111.2143687  1  119.9249031  1     1     2    17
  H     1.10629556  1  109.9419508  1  121.9684941  1     2     1     3
  H     1.10637358  1  109.9247446  1  116.1372868  1     2     1    19
  H     1.10572534  1  109.9641222  1 -121.9737063  1     3     2     4
  H     1.10583077  1  109.9347706  1 -116.1317431  1     3     2    21
  H     1.10589585  1  110.0092037  1  121.9058217  1     4     3     5
  H     1.10598600  1  109.9908879  1  116.2626908  1     4     3    23
  H     1.10583740  1  110.0153599  1 -121.9039030  1     5     4     6
  H     1.10593931  1  109.9870808  1 -116.2693392  1     5     4    25
  H     1.10593964  1  110.0043379  1  121.9073203  1     6     5     7
  H     1.10603323  1  109.9846278  1  116.2600946  1     6     5    27
  H     1.10587296  1  110.0124211  1 -121.9059010  1     7     6     8
  H     1.10597002  1  109.9866994  1 -116.2629491  1     7     6    29
  H     1.10603217  1  109.9924297  1  121.9224690  1     8     7     9
  H     1.10612692  1  109.9728963  1  116.2284894  1     8     7    31
  H     1.10592225  1  109.9754426  1 -121.9295557  1     9     8    10
  H     1.10601357  1  109.9511023  1 -116.2160121  1     9     8    33
  H     1.10630578  1  109.9395635  1  121.9481103  1    10     9    11
  H     1.10639720  1  109.9204622  1  116.1763266  1    10     9    35
  H     1.10646442  1  109.8543871  1 -121.9624757  1    11    10    12
  H     1.10654101  1  109.8321353  1 -116.1401205  1    11    10    37
  H     1.10755362  1  110.1660963  1  121.8935245  1    12    11    13
  H     1.10763794  1  110.1508448  1  116.2724408  1    12    11    39
  H     1.11642140  1  109.9793404  1 -122.2644220  1    13    12    14
  H     1.11632788  1  110.0076476  1 -115.5056707  1    13    12    41