PM7 Accuracy

1,2-propanediamine    604 1,2-Propanediamine

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    #  Species Formula
   594 N=N-CH2-CH2N2
   595 MethylhydrazineCH6N2
   596 Cyanogen (Geo)C2N2
   597 CyanogenC2N2
   598 Dimethyldiazene (Geo)C2H6N2
   599 1,1-DimethylhydrazineC2H8N2
   600 1,2-DimethylhydrazineC2H8N2
   601 EthylenediamineC2H8N2
   602 1H-PyrazoleC3H4N2
   603 ImidazoleC3H4N2
   604 1,2-Propanediamine C3H10N2
   605 DicyanoacetyleneC4N2
   606 FumaronitrileC4H2N2
   607 1,3-DiazineC4H4N2
   608 PyrazineC4H4N2
   609 PyridazineC4H4N2
   610 SuccinonitrileC4H4N2
   611 2-Methyl-1H-imidazoleC4H6N2
   612 (Dimethylamino) acetonitrileC4H8N2
   613 1,4,5,6-TetrahydropyrimidineC4H8N2
   614 PiperazineC4H10N2


DHf: -12.8 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
1,2-Propanediamine
 H=-12.81 HR=NIST
  N     0.03406739  1  -0.03750886  1   0.02700633  1
  C     1.49656044  1   0.12770712  1   0.15572079  1
  C     1.94982734  1   1.59518872  1   0.16388174  1
  C     1.94040127  1  -0.57316042  1   1.47200461  1
  N     1.55764128  1  -1.99564612  1   1.52616894  1
  H    -0.46505941  1   0.39821671  1   0.78562072  1
  H    -0.31441638  1   0.33019319  1  -0.84290702  1
  H     1.96582708  1  -0.39855243  1  -0.71570274  1
  H     1.51648849  1   2.15323113  1   1.00030424  1
  H     3.04022560  1   1.67160619  1   0.24891065  1
  H     1.66021938  1   2.10872021  1  -0.75900243  1
  H     3.04129239  1  -0.49329111  1   1.58906464  1
  H     1.48923006  1  -0.06537798  1   2.35158182  1
  H     0.55830489  1  -2.09616984  1   1.39469501  1
  H     2.01317648  1  -2.52454676  1   0.79857229  1