PM7 Accuracy

tetramethylurea   1024 Tetramethylurea

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    #  Species Formula
  1014 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1015 Nitrous oxide (Geo)N2O
  1016 Nitrous oxideN2O
  1017 UreaCH4N2O
  1018 N-Methyl ureaC2H6N2O
  1019 Dimethyl furazanC4H6N2O
  1020 IsopropylureaC4H10N2O
  1021 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1022 (1-Methylpropyl) ureaC5H12N2O
  1023 N,N-diethylureaC5H12N2O
  1024 Tetramethylurea C5H12N2O
  1025 CEB (Torsion angle) (Geo)C13H12N2O
  1026 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1027 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1028 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1029 Oxygen, triplet state (Geo)O2
  1030 Oxygen (Singlet)O2
  1031 Oxygen (Triplet)O2
  1032 Hydrogen peroxide (Geo)H2O2
  1033 Hydrogen peroxideH2O2
  1034 LiOH.H2OH3LiO2


DHf: -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