PM7 Accuracy

isopropylbutylamine    531 Isopropylbutylamine

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    #  Species Formula
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N
   523 m-ToluidineC7H9N
   524 N-MethylanilineC7H9N
   525 o-ToluidineC7H9N
   526 p-ToluidineC7H9N
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 Isopropylbutylamine C7H17N
   532 1-NorbornylcyanideC8H11N
   533 1-NorbornylisocyanideC8H11N
   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


DHf: -39.4 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
Isopropylbutylamine
 H=-39.44 HR=NIST
  C     0.06142082  1   0.15020823  1  -0.01359297  1
  C     1.10759955  1  -0.97148484  1  -0.17265858  1
  N     1.92023382  1  -0.85491307  1  -1.40268290  1
  C     1.14736531  1  -1.13430259  1  -2.63436018  1
  C     2.02547113  1  -0.83390479  1  -3.86157770  1
  C     1.26810289  1  -1.16612621  1  -5.15205361  1
  C     2.11465492  1  -0.83112951  1  -6.38010572  1
  C     2.07263187  1  -0.95211558  1   1.02468444  1
  H     0.53295777  1   1.13624656  1   0.03153789  1
  H    -0.64882723  1   0.15873348  1  -0.84579335  1
  H    -0.51425615  1   0.01883985  1   0.90797815  1
  H     0.58422627  1  -1.96213928  1  -0.20602764  1
  H     2.38394375  1   0.04863982  1  -1.45385148  1
  H     0.87048711  1  -2.21199538  1  -2.61864059  1
  H     0.20114641  1  -0.55533136  1  -2.69291036  1
  H     2.33512554  1   0.22664310  1  -3.86230169  1
  H     2.96142559  1  -1.42285416  1  -3.79998957  1
  H     0.99361719  1  -2.23808491  1  -5.16433507  1
  H     0.31425178  1  -0.60644106  1  -5.18882874  1
  H     2.37449752  1   0.23275122  1  -6.41058250  1
  H     3.05176312  1  -1.39943145  1  -6.38713480  1
  H     1.57946903  1  -1.06610937  1  -7.30646719  1
  H     2.84959918  1  -1.71891038  1   0.90226480  1
  H     2.58145457  1   0.01131534  1   1.12260762  1
  H     1.54219314  1  -1.15235518  1   1.95976818  1