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

4-amino-2(1h)-pyrimidinone   1026 4-Amino-2(1H)-pyrimidinone

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    #  Species Formula
  1016 UreaCH4N2O
  1017 N-Methyl ureaC2H6N2O
  1018 Dimethyl furazanC4H6N2O
  1019 IsopropylureaC4H10N2O
  1020 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1021 (1-Methylpropyl) ureaC5H12N2O
  1022 N,N-diethylureaC5H12N2O
  1023 TetramethylureaC5H12N2O
  1024 CEB (Torsion angle) (Geo)C13H12N2O
  1025 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1026 4-Amino-2(1H)-pyrimidinone C4H5N3O
  1027 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1028 Oxygen, triplet state (Geo)O2
  1029 Oxygen (Singlet)O2
  1030 Oxygen (Triplet)O2
  1031 Hydrogen peroxide (Geo)H2O2
  1032 Hydrogen peroxideH2O2
  1033 LiOH.H2OH3LiO2
  1034 LiOH.H2O (Geo)H3LiO2
  1035 Li(+)(H2O)2H4LiO2
  1036 Li(+)(H2O)2 (Geo)H4LiO2


ΔHf: -14.2 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
4-Amino-2(1H)-pyrimidinone
 H=-14.2 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.35033079 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39371894 +1  122.9742137 +1    0.0000000 +0     2     1     0
  C     1.41906453 +1  117.2476086 +1    0.0189406 +1     3     2     1
  N     1.36922792 +1  121.1976623 +1    0.0190651 +1     4     3     2
  C     1.35825339 +1  115.7813281 +1   -0.0378429 +1     5     4     3
  O     1.34071564 +1  117.1961707 +1  179.9702247 +1     6     5     4
  N     1.36652344 +1  122.8544746 +1 -179.9917552 +1     4     3     5
  H     1.09929360 +1  115.0702749 +1 -179.9863455 +1     2     1     3
  H     1.07895299 +1  121.3393058 +1  179.9998010 +1     3     2     4
  H     1.00691969 +1  110.4874319 +1    0.0004991 +1     7     6     5
  H     1.00157270 +1  120.2817068 +1 -179.9937165 +1     8     4     3
  H     0.99524272 +1  121.2653269 +1 -179.9985473 +1     8     4    12