PM7 Accuracy

benzenamine, n-(phenylmethylene)-, n-oxide   1011 Benzenamine, N-(phenylmethylene)-, N-oxide

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    #  Species Formula
  1001 2-(Dimethylamino)-acetophenoneC10H13NO
  1002 N,N,4-Trimethyl benzamideC10H13NO
  1003 (E)-3-(Methylamino)-1-phenyl-but-2-enoneC11H13NO
  1004 1-Propanone, 2-(dimethylamino)-1-phenyl-C11H15NO
  1005 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxideC11H15NO
  1006 1-AdamantanecarboxamideC11H17NO
  1007 N,N-DimethylnonamideC11H23NO
  1008 PhenoxazineC12H9NO
  1009 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1010 9,10-Dihydro-9-oxoacridineC13H9NO
  1011 Benzenamine, N-(phenylmethylene)-, N-oxide C13H11NO
  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


DHf: 62.9 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
Benzenamine, N-(phenylmethylene)-, N-oxide
 H=62.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39397488  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39235308  1  120.0909831  1    0.0000000  0     2     1     0
  C     1.39840938  1  119.9358885  1   -0.2718069  1     3     2     1
  C     1.39825323  1  119.9251117  1    1.0325416  1     4     3     2
  C     1.39224310  1  119.8602647  1   -1.0440379  1     5     4     3
  C     1.45953625  1  120.8634321  1  178.5760774  1     4     3     5
  N     1.31650765  1  124.0533574  1   58.1867664  1     7     4     3
  C     1.45324355  1  122.4953428  1    3.1131432  1     8     7     4
  C     1.39652819  1  118.2378299  1 -130.9255367  1     9     8     7
  C     1.39231058  1  118.8973044  1  179.5614761  1    10     9     8
  C     1.39442911  1  120.1677420  1    0.8064649  1    11    10     9
  C     1.39473351  1  120.3511048  1    0.5254809  1    12    11    10
  C     1.39211455  1  120.1768550  1   -0.6656687  1    13    12    11
  O     1.24742947  1  122.4470611  1 -179.8119306  1     8     7     9
  H     1.08764762  1  119.9639231  1  179.8104652  1     1     2     3
  H     1.08831998  1  120.0253872  1  179.9382563  1     2     1     3
  H     1.08842650  1  120.0750886  1  179.9310224  1     3     2     4
  H     1.08874473  1  119.9052356  1 -179.7847014  1     5     4     6
  H     1.08820796  1  119.9058617  1 -179.6752857  1     6     5     4
  H     1.09515102  1  117.1871767  1 -178.6649176  1     7     4     8
  H     1.09250127  1  120.0488737  1  179.4558473  1    10     9    11
  H     1.08934819  1  119.7928890  1  179.7030021  1    11    10    12
  H     1.08944521  1  119.8596857  1  179.6104633  1    12    11    13
  H     1.08930945  1  120.0888794  1  179.9877495  1    13    12    14
  H     1.09103507  1  120.4470645  1  179.7707911  1    14    13    12