PM7 Accuracy

2-propanamine, 2-methyl-n-(phenylmethylene)-, n-oxide   1005 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide

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    #  Species Formula
   995 2-Methyl-8-quinolinolC10H9NO
   996 3-Methyl-5-phenyl isoxazoleC10H9NO
   997 4-Methyl-2-hydroxyquinolineC10H9NO
   998 5-Methyl-3-phenyl isoxazoleC10H9NO
   999 beta-CyanopropiophenoneC10H9NO
  1000 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO
  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-oxide C11H15NO
  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-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


DHf: 7.4 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
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide
 H=7.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53354390  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53142729  1  110.0806480  1    0.0000000  0     1     2     0
  C     1.53369545  1  111.3279349  1  122.2595436  1     1     2     3
  N     1.52010065  1  108.0704738  1  118.8894174  1     1     2     4
  C     1.31916042  1  120.4296330  1  -62.4427518  1     5     1     2
  C     1.45387394  1  125.7648769  1 -179.7920291  1     6     5     1
  C     1.39783350  1  123.6371874  1   -1.5497120  1     7     6     5
  C     1.39419329  1  120.2585017  1  179.9257871  1     8     7     6
  C     1.39147711  1  120.4225010  1    0.0453568  1     9     8     7
  C     1.39559098  1  119.6674842  1    0.0103387  1    10     9     8
  C     1.38926977  1  120.1854785  1   -0.0348323  1    11    10     9
  O     1.24162031  1  115.2457722  1  179.9829421  1     5     1     6
  H     1.09895421  1  111.4529357  1   61.6385857  1     2     1     3
  H     1.09587575  1  112.6711986  1  120.7295343  1     2     1    14
  H     1.09672513  1  110.6974076  1  120.0985677  1     2     1    15
  H     1.09960682  1  111.5022742  1 -177.0707575  1     3     1     2
  H     1.09992254  1  111.4985470  1  118.0247766  1     3     1    17
  H     1.09356925  1  111.4375791  1  120.9373624  1     3     1    18
  H     1.09565540  1  112.7902768  1   53.2096598  1     4     1     2
  H     1.09886183  1  111.4806801  1  120.9386041  1     4     1    20
  H     1.09698847  1  110.6601956  1  119.0848039  1     4     1    21
  H     1.09252835  1  118.2849887  1  179.9697403  1     6     5     7
  H     1.09245919  1  120.4144166  1 -179.9898882  1     8     7     9
  H     1.08853412  1  119.5080287  1 -179.9647120  1     9     8    10
  H     1.08678326  1  120.2846370  1 -179.9674111  1    10     9    11
  H     1.08760741  1  119.8740219  1 -179.9896082  1    11    10    12
  H     1.08706997  1  119.6345584  1 -179.9724074  1    12    11    10