PM7 Accuracy

urea   1017 Urea

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    #  Species Formula
  1007 N,N-DimethylnonamideC11H23NO
  1008 PhenoxazineC12H9NO
  1009 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1010 9,10-Dihydro-9-oxoacridineC13H9NO
  1011 Benzenamine, N-(phenylmethylene)-, N-oxideC13H11NO
  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 Urea CH4N2O
  1018 N-Methyl ureaC2H6N2O
  1019 Dimethyl furazanC4H6N2O
  1020 IsopropylureaC4H10N2O
  1021 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1022 (1-Methylpropyl) ureaC5H12N2O
  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


DHf: -58.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Urea
 HR=C&P1970 H=-58.7
  O     0.01668047  1  -0.00000938  1   0.00003446  1
  C     1.23369003  1  -0.00003971  1  -0.00017514  1
  N     1.96279801  1   1.18236920  1  -0.04923947  1
  N     1.96259799  1  -1.18275494  1   0.04838983  1
  H     1.46117669  1   2.04796720  1  -0.07191692  1
  H     2.95228543  1   1.22463221  1  -0.03921990  1
  H     1.46097799  1  -2.04826063  1   0.07143868  1
  H     2.95207643  1  -1.22502771  1   0.03838944  1