Accuracy

tetramethylurea   1021 Tetramethylurea

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    #  Species Formula
  1011 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1012 Nitrous oxide (Geo)N2O
  1013 Nitrous oxideN2O
  1014 UreaCH4N2O
  1015 N-Methyl ureaC2H6N2O
  1016 Dimethyl furazanC4H6N2O
  1017 IsopropylureaC4H10N2O
  1018 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1019 (1-Methylpropyl) ureaC5H12N2O
  1020 N,N-diethylureaC5H12N2O
  1021 Tetramethylurea C5H12N2O
  1022 CEB (Torsion angle) (Geo)C13H12N2O
  1023 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1024 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1025 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1026 Oxygen, triplet state (Geo)O2
  1027 Oxygen (Singlet)O2
  1028 Oxygen (Triplet)O2
  1029 Hydrogen peroxide (Geo)H2O2
  1030 Hydrogen peroxideH2O2
  1031 LiOH.H2OH3LiO2


ΔHf: -49.1 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
Tetramethylurea
 H=-49.13 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.41555796 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47238962 +1  117.7089727 +1    0.0000000 +0     2     1     0
  C     1.47591562 +1  113.1487875 +1  133.9912947 +1     2     1     3
  N     1.41869508 +1  117.4902042 +1   45.3741599 +1     1     2     3
  C     1.47312888 +1  117.1475881 +1   47.9664749 +1     5     1     2
  C     1.47638891 +1  112.8520952 +1  132.7989727 +1     5     1     6
  O     1.21671496 +1  121.1943214 +1  179.9229385 +1     1     2     5
  H     1.10360879 +1  111.5890310 +1  -32.0722891 +1     3     2     1
  H     1.10332720 +1  112.6860367 +1  120.7699175 +1     3     2     9
  H     1.10451523 +1  108.4443182 +1  120.3060856 +1     3     2    10
  H     1.10214481 +1  113.3027485 +1  -69.8783193 +1     4     2     1
  H     1.10704939 +1  109.3365283 +1  119.6842303 +1     4     2    12
  H     1.10145431 +1  109.0666167 +1  118.0873637 +1     4     2    13
  H     1.10342962 +1  111.5051437 +1  -34.1915653 +1     6     5     1
  H     1.10318895 +1  112.7677935 +1  120.8349873 +1     6     5    15
  H     1.10443861 +1  108.4221514 +1  120.3326386 +1     6     5    16
  H     1.10212992 +1  113.3770929 +1  -68.6928800 +1     7     5     1
  H     1.10678805 +1  109.2757762 +1  119.6877877 +1     7     5    18
  H     1.10138180 +1  109.0487845 +1  118.0570855 +1     7     5    19