PM7 Accuracy

dioctylamine    585 Dioctylamine

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    #  Species Formula
   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 TetradecanenitrileC14H27N
   585 Dioctylamine C16H35N
   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
   595 MethylhydrazineCH6N2


DHf: -76.5 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
Dioctylamine
 H=-76.53 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52909057  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53452880  1  110.8527032  1    0.0000000  0     2     1     0
  C     1.53395239  1  110.7700565  1  179.7904477  1     3     2     1
  C     1.53404951  1  110.6605360  1  179.9848625  1     4     3     2
  C     1.53433569  1  110.6480835  1  179.7113694  1     5     4     3
  C     1.53200759  1  110.5367433  1  179.7235774  1     6     5     4
  C     1.53862304  1  110.3193137  1  179.2891712  1     7     6     5
  N     1.48239689  1  108.9470052  1  175.3872629  1     8     7     6
  C     1.48223027  1  111.3693662  1  174.9785380  1     9     8     7
  C     1.53893826  1  108.9635737  1 -175.1024564  1    10     9     8
  C     1.53204796  1  110.2943243  1 -175.5559915  1    11    10     9
  C     1.53428646  1  110.5383688  1 -179.5376739  1    12    11    10
  C     1.53406240  1  110.6521368  1 -179.8952740  1    13    12    11
  C     1.53388618  1  110.6599510  1 -179.9463816  1    14    13    12
  C     1.53472098  1  110.7685289  1  179.9120758  1    15    14    13
  C     1.52875892  1  110.8573775  1 -179.9805784  1    16    15    14
  H     1.09558601  1  111.4324992  1  -59.9550744  1     1     2     3
  H     1.09560242  1  111.4159035  1  120.1160506  1     1     2    18
  H     1.09543439  1  111.2313030  1  119.9313626  1     1     2    19
  H     1.10610319  1  109.9735953  1  121.9431988  1     2     1     3
  H     1.10622186  1  109.9582681  1  116.1937720  1     2     1    21
  H     1.10570949  1  109.9685029  1 -121.9570758  1     3     2     4
  H     1.10584620  1  109.9367220  1 -116.1455811  1     3     2    23
  H     1.10570555  1  110.0197571  1  121.8842440  1     4     3     5
  H     1.10584522  1  110.0043952  1  116.2977078  1     4     3    25
  H     1.10579423  1  110.0376563  1 -121.9164930  1     5     4     6
  H     1.10617575  1  110.0102052  1 -116.3161896  1     5     4    27
  H     1.10586555  1  109.9857241  1  121.9929733  1     6     5     7
  H     1.10642247  1  109.9234284  1  116.3103484  1     6     5    29
  H     1.10474819  1  110.3937316  1 -122.3521045  1     7     6     8
  H     1.10840997  1  110.4037213  1 -116.6223538  1     7     6    31
  H     1.11039518  1  110.2570787  1  124.4637049  1     8     7     9
  H     1.11269370  1  109.9612326  1  117.8472758  1     8     7    33
  H     1.01813022  1  110.8242380  1 -123.8162793  1     9     8    10
  H     1.11042454  1  112.9802848  1  122.8564798  1    10     9    11
  H     1.11276315  1  107.5942268  1  117.9422241  1    10     9    36
  H     1.10468905  1  110.4137722  1 -122.3288227  1    11    10    12
  H     1.10828475  1  109.3483083  1 -116.0434564  1    11    10    38
  H     1.10584182  1  110.2396394  1  121.8503595  1    12    11    13
  H     1.10643722  1  110.0489816  1  116.5322154  1    12    11    40
  H     1.10580431  1  110.0936570  1 -121.8868368  1    13    12    14
  H     1.10618263  1  109.9936164  1 -116.3341093  1    13    12    42
  H     1.10570410  1  110.0668219  1  121.8591784  1    14    13    15
  H     1.10586810  1  110.0373937  1  116.3412166  1    14    13    44
  H     1.10568229  1  110.1044345  1 -121.8811392  1    15    14    16
  H     1.10581412  1  110.0757607  1 -116.3135198  1    15    14    46
  H     1.10612858  1  110.0116410  1  121.9210145  1    16    15    17
  H     1.10627577  1  109.9850356  1  116.2327185  1    16    15    48
  H     1.09566106  1  111.4158107  1  -60.1789730  1    17    16    15
  H     1.09566208  1  111.4270162  1  120.1051390  1    17    16    50
  H     1.09550054  1  111.2530775  1  119.9430340  1    17    16    51