PM7 Accuracy

trioctylamine    587 Trioctylamine

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    #  Species Formula
   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 DioctylamineC16H35N
   586 TriphenylamineC18H15N
   587 Trioctylamine C24H51N
   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
   596 Cyanogen (Geo)C2N2
   597 CyanogenC2N2


DHf: -114.0 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
Trioctylamine
 H=-114.0 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48331867  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54168416  1  108.2862951  1    0.0000000  0     2     1     0
  C     1.53112450  1  110.3772835  1 -176.7220876  1     3     2     1
  C     1.53428678  1  110.4592055  1  179.9006616  1     4     3     2
  C     1.53382103  1  110.7126939  1  179.9777299  1     5     4     3
  C     1.53377356  1  110.7022277  1  179.9335747  1     6     5     4
  C     1.53447746  1  110.7972972  1  179.8608770  1     7     6     5
  C     1.52882472  1  110.8934373  1  179.9446269  1     8     7     6
  C     1.48318250  1  111.5710033  1  -83.8546662  1     1     2     3
  C     1.54143086  1  108.4256635  1  152.1392754  1    10     1     2
  C     1.53117317  1  110.3867483  1 -176.6666019  1    11    10     1
  C     1.53430344  1  110.4333679  1 -179.3406694  1    12    11    10
  C     1.53380504  1  110.7325485  1 -179.7052338  1    13    12    11
  C     1.53377570  1  110.6861027  1 -179.5400043  1    14    13    12
  C     1.53446913  1  110.8099776  1 -179.8105347  1    15    14    13
  C     1.52881635  1  110.8862086  1 -179.7344274  1    16    15    14
  C     1.48312032  1  111.5513635  1  150.5106842  1     1     2     3
  C     1.54161890  1  108.3524987  1  -83.1500440  1    18     1     2
  C     1.53107394  1  110.3597166  1 -177.1517686  1    19    18     1
  C     1.53429769  1  110.4643790  1  179.9863596  1    20    19    18
  C     1.53376876  1  110.7044132  1  179.7906377  1    21    20    19
  C     1.53377415  1  110.7071402  1  179.9834269  1    22    21    20
  C     1.53443183  1  110.7915208  1  179.7492977  1    23    22    21
  C     1.52881657  1  110.8967547  1  179.9738981  1    24    23    22
  H     1.11165592  1  109.5575832  1 -118.8433375  1     2     1     3
  H     1.10931959  1  112.8620347  1  122.7226704  1     2     1     3
  H     1.10481071  1  110.3845257  1   60.6226641  1     3     2     1
  H     1.10750571  1  109.1856275  1  -54.6615224  1     3     2     1
  H     1.10614626  1  110.1452380  1   58.2813712  1     4     3     2
  H     1.10587208  1  110.2016939  1  -58.3583555  1     4     3     2
  H     1.10596761  1  110.0336662  1   58.0975768  1     5     4     3
  H     1.10620445  1  109.9626037  1  -58.1984984  1     5     4     3
  H     1.10587117  1  110.0328832  1   58.1181227  1     6     5     4
  H     1.10583688  1  110.0403998  1  -58.2280867  1     6     5     4
  H     1.10582989  1  110.0824300  1   58.0138880  1     7     6     5
  H     1.10586587  1  110.0661172  1  -58.3104177  1     7     6     5
  H     1.10630807  1  109.9879057  1   58.0847510  1     8     7     6
  H     1.10629755  1  109.9938664  1  -58.1783310  1     8     7     6
  H     1.09541207  1  111.2790586  1  179.8306650  1     9     8     7
  H     1.09568054  1  111.4220065  1   59.8592659  1     9     8     7
  H     1.09568155  1  111.4091562  1  -60.2100070  1     9     8     7
  H     1.11210347  1  109.3269734  1   33.3728211  1    10     1     2
  H     1.10924232  1  112.8667782  1  -85.0023273  1    10     1     2
  H     1.10483102  1  110.4250881  1   60.7033940  1    11    10     1
  H     1.10756982  1  109.1900372  1  -54.6044651  1    11    10     1
  H     1.10616468  1  110.1546099  1   59.0220569  1    12    11    10
  H     1.10586923  1  110.2074649  1  -57.6322675  1    12    11    10
  H     1.10596860  1  110.0155923  1   58.4334502  1    13    12    11
  H     1.10618734  1  109.9735729  1  -57.8540881  1    13    12    11
  H     1.10589976  1  110.0406605  1   58.6296059  1    14    13    12
  H     1.10583838  1  110.0414804  1  -57.7282202  1    14    13    12
  H     1.10581166  1  110.0692132  1   58.3571185  1    15    14    13
  H     1.10585557  1  110.0760492  1  -57.9584136  1    15    14    13
  H     1.10634806  1  109.9920069  1   58.3965259  1    16    15    14
  H     1.10629874  1  109.9920355  1  -57.8740279  1    16    15    14
  H     1.09540797  1  111.2845971  1 -179.7822427  1    17    16    15
  H     1.09563179  1  111.4176036  1   60.2524823  1    17    16    15
  H     1.09568668  1  111.4161864  1  -59.8112943  1    17    16    15
  H     1.11188239  1  109.4756527  1  158.0339541  1    18     1     2
  H     1.10928731  1  112.8808999  1   39.6464046  1    18     1     2
  H     1.10484292  1  110.4055844  1   60.2033518  1    19    18     1
  H     1.10745981  1  109.1924193  1  -55.0927035  1    19    18     1
  H     1.10615458  1  110.1561214  1   58.3609266  1    20    19    18
  H     1.10589791  1  110.2019105  1  -58.2809201  1    20    19    18
  H     1.10597235  1  110.0367955  1   57.9212064  1    21    20    19
  H     1.10618039  1  109.9694732  1  -58.3825703  1    21    20    19
  H     1.10588379  1  110.0407098  1   58.1656269  1    22    21    20
  H     1.10585612  1  110.0422334  1  -58.1836229  1    22    21    20
  H     1.10582676  1  110.0858179  1   57.9092091  1    23    22    21
  H     1.10585476  1  110.0724408  1  -58.4210244  1    23    22    21
  H     1.10632410  1  109.9928086  1   58.1139388  1    24    23    22
  H     1.10630837  1  109.9989898  1  -58.1527760  1    24    23    22
  H     1.09538505  1  111.2732512  1  179.7843560  1    25    24    23
  H     1.09566584  1  111.4275577  1   59.8198106  1    25    24    23
  H     1.09567218  1  111.4165109  1  -60.2590975  1    25    24    23