PM7 Accuracy

(1-methylpropyl) urea   1022 (1-Methylpropyl) urea

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    #  Species Formula
  1012 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1013 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  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) urea C5H12N2O
  1023 N,N-diethylureaC5H12N2O
  1024 TetramethylureaC5H12N2O
  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


DHf: -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