Accuracy

(1-methylpropyl) urea   1019 (1-Methylpropyl) urea

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    #  Species Formula
  1009 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1010 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  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) urea C5H12N2O
  1020 N,N-diethylureaC5H12N2O
  1021 TetramethylureaC5H12N2O
  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


ΔHf: -73.4 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
(1-Methylpropyl) urea
 H=-73.38 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.39616801 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.00923012 +1  119.5813742 +1    0.0000000 +0     2     1     0
  C     1.47851450 +1  116.9626781 +1 -147.2904686 +1     2     1     3
  N     1.40581913 +1  115.3751212 +1  -22.1411186 +1     1     2     3
  H     0.99916758 +1  120.2281485 +1  -25.0360278 +1     5     1     2
  H     1.00696907 +1  115.8214969 +1 -144.2097932 +1     5     1     6
  O     1.21607055 +1  123.5751623 +1 -179.3418181 +1     1     2     5
  H     1.12522770 +1  107.9900954 +1  -36.7023155 +1     4     2     1
  C     1.53714897 +1  110.7779365 +1  119.7133829 +1     4     2     9
  C     1.54431380 +1  108.6220410 +1  121.3974790 +1     4     2    10
  H     1.10695854 +1  109.0555976 +1 -169.1440580 +1    11     4     2
  H     1.10516955 +1  110.4894300 +1  115.9142852 +1    11     4    12
  C     1.52709521 +1  111.2318063 +1  122.8207611 +1    11     4    13
  H     1.09318176 +1  112.2409044 +1   62.1308929 +1    10     4     2
  H     1.09898390 +1  110.5722781 +1 -120.4473786 +1    10     4    15
  H     1.09498153 +1  111.0647307 +1 -118.6505935 +1    10     4    16
  H     1.09768652 +1  111.2008451 +1  -57.3117636 +1    14    11     4
  H     1.09481493 +1  111.4763354 +1 -120.2065843 +1    14    11    18
  H     1.09638635 +1  111.5345560 +1 -120.4115329 +1    14    11    19