PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

n-octylamine    544 n-Octylamine

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    #  Species Formula
   534 5-Ethyl-2-methyl-pyridineC8H11N
   535 N,N-Dimethyl anilineC8H11N
   536 N-Ethyl anilineC8H11N
   537 3-Azabicyclo[3.2.2]nonaneC8H15N
   538 n-Heptyl cyanideC8H15N
   539 N-(2-Methylpropylidene)-butylamineC8H17N
   540 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   541 Di-sec-butylamineC8H19N
   542 DibutylamineC8H19N
   543 N-(2-Methylpropyl)-1-butanamineC8H19N
   544 n-Octylamine C8H19N
   545 IsoquinolineC9H7N
   546 QuinolineC9H7N
   547 2,6-DimethylbenzonitrileC9H9N
   548 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   549 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   550 1,2,3,4-TetrahydroquinolineC9H11N
   551 5,6,7,8-TetrahydroquinolineC9H11N
   552 N,N-Dimethyl m-toluidineC9H13N
   553 N,N-Dimethyl p-toluidineC9H13N
   554 N-Ethyl m-toluidineC9H13N


ΔHf: -41.5 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-Octylamine
 H=-41.46 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52911799 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53481167 +1  110.8446959 +1    0.0000000 +0     2     1     0
  C     1.53409954 +1  110.6609570 +1  179.9518423 +1     3     2     1
  C     1.53431123 +1  110.6415650 +1  179.9838837 +1     4     3     2
  C     1.53453544 +1  110.5727264 +1  179.9242902 +1     5     4     3
  C     1.53195823 +1  110.4976907 +1  179.8223622 +1     6     5     4
  C     1.53870439 +1  110.3911325 +1  179.5466850 +1     7     6     5
  N     1.48241057 +1  109.0164064 +1  175.3985130 +1     8     7     6
  H     1.09556562 +1  111.4203757 +1  -59.9794451 +1     1     2     3
  H     1.09556674 +1  111.4107012 +1  120.1211401 +1     1     2    10
  H     1.09544608 +1  111.2271312 +1  119.9301917 +1     1     2    11
  H     1.10606672 +1  109.9839647 +1  121.9468136 +1     2     1     3
  H     1.10621655 +1  109.9542711 +1  116.1908077 +1     2     1    13
  H     1.10561057 +1  109.9923205 +1  121.9330024 +1     3     2     4
  H     1.10570407 +1  109.9818385 +1  116.1987314 +1     3     2    15
  H     1.10568178 +1  110.0337475 +1  121.8979699 +1     4     3     5
  H     1.10585599 +1  110.0049753 +1  116.3138187 +1     4     3    17
  H     1.10594529 +1  110.0614296 +1  121.8196857 +1     5     4     6
  H     1.10579578 +1  110.0445344 +1  116.3508096 +1     5     4    19
  H     1.10578003 +1  109.9846961 +1  122.0217281 +1     6     5     7
  H     1.10639423 +1  109.8975021 +1  116.3115303 +1     6     5    21
  H     1.10839052 +1  110.5301864 +1  121.0795724 +1     7     6     8
  H     1.10475156 +1  110.4912792 +1  116.5947719 +1     7     6    23
  H     1.11005827 +1  110.3047790 +1  124.4439218 +1     8     7     9
  H     1.11293293 +1  109.8865565 +1  117.9610419 +1     8     7    25
  H     1.00604652 +1  111.8230818 +1   57.8888463 +1     9     8     7
  H     1.00601343 +1  111.6745502 +1  122.2174730 +1     9     8    27