PM7 Accuracy

dimethyl furazan   1019 Dimethyl furazan

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    #  Species Formula
  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 UreaCH4N2O
  1018 N-Methyl ureaC2H6N2O
  1019 Dimethyl furazan C4H6N2O
  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
  1028 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1029 Oxygen, triplet state (Geo)O2


DHf: 25.6 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
Dimethyl furazan
 H=25.6 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  N     1.36348524  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.32550936  1  108.4007217  1    0.0000000  0     2     1     0
  C     1.48171869  1  106.5144667  1    0.0055222  1     3     2     1
  N     1.36389113  1  110.1498032  1   -0.0083276  1     1     2     3
  C     1.46909266  1  126.4272582  1 -179.9900280  1     3     2     1
  C     1.46923612  1  127.0031608  1 -179.9669126  1     4     3     2
  H     1.10288830  1  111.6048165  1  119.7854508  1     6     3     2
  H     1.10523629  1  112.0220353  1   -0.0924647  1     6     3     2
  H     1.10288353  1  111.6171261  1 -119.9878638  1     6     3     2
  H     1.10523056  1  112.0309929  1 -179.8383852  1     7     4     3
  H     1.10289303  1  111.6000377  1   60.2878978  1     7     4     3
  H     1.10287385  1  111.6184165  1  -59.9389332  1     7     4     3