Accuracy

tetradecanenitrile    582 Tetradecanenitrile

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    #  Species Formula
   572 BiphenylamineC12H11N
   573 2-n-Butyl-2-methylhexanenitrileC12H23N
   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 Tetradecanenitrile C14H27N
   583 DioctylamineC16H35N
   584 TriphenylamineC18H15N
   585 TrioctylamineC24H51N
   586 Nitrogen (Geo)N2
   587 NitrogenN2
   588 DiazeneH2N2
   589 HydrazineH4N2
   590 BH3-NH3, dimer (Geo)H12B2N2
   591 DiazomethaneCH2N2
   592 N=N-CH2-CH2N2


ΔHf: -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