Accuracy

n,n-diethylurea   1020 N,N-diethylurea

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    #  Species Formula
  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) ureaC5H12N2O
  1020 N,N-diethylurea C5H12N2O
  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
  1030 Hydrogen peroxideH2O2


ΔHf: -65.1 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
N,N-diethylurea
 H=-65.08 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.40469923 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47035649 +1  120.6640468 +1    0.0000000 +0     2     1     0
  C     1.47707504 +1  114.5916750 +1 -146.9612728 +1     2     1     3
  N     1.39998741 +1  118.1225111 +1  -26.4965599 +1     1     2     3
  H     0.99661210 +1  121.2384536 +1  -16.9205190 +1     5     1     2
  H     1.00531746 +1  116.2783935 +1 -149.3563295 +1     5     1     6
  O     1.21853510 +1  122.1543845 +1 -176.9996312 +1     1     2     5
  H     1.11516242 +1  107.9217038 +1   67.1763934 +1     3     2     1
  H     1.11531679 +1  108.0907787 +1  113.9740950 +1     3     2     9
  C     1.53213453 +1  114.8775139 +1  122.8167659 +1     3     2    10
  H     1.11172485 +1  107.9146106 +1 -163.3157043 +1     4     2     1
  H     1.11975995 +1  107.3352818 +1  114.9730596 +1     4     2    12
  C     1.53155739 +1  114.4347492 +1  121.3892061 +1     4     2    13
  H     1.09591397 +1  111.6993769 +1  -63.0920322 +1    11     3     2
  H     1.09798708 +1  111.9596661 +1  119.6504425 +1    11     3    15
  H     1.09503549 +1  111.0790735 +1  120.2140164 +1    11     3    16
  H     1.10036938 +1  110.6214801 +1  -55.5976233 +1    14     4     2
  H     1.09296535 +1  112.2339691 +1  120.6626170 +1    14     4    18
  H     1.09546098 +1  110.9299426 +1  120.7385578 +1    14     4    19