PM7 Accuracy

1-propanone, 2-(dimethylamino)-1-phenyl-   1004 1-Propanone, 2-(dimethylamino)-1-phenyl-

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    #  Species Formula
   994 2-Methyl-4-hydroxyquinolineC10H9NO
   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-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-oxideC13H11NO
  1012 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1013 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  1014 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO


DHf: -16.7 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
1-Propanone, 2-(dimethylamino)-1-phenyl-
 H=-16.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  N     1.47701986  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.47997482  1  113.0534953  1    0.0000000  0     2     1     0
  C     1.54041386  1  106.4230186  1  -71.3233585  1     3     2     1
  C     1.48143797  1  117.1711855  1  -86.2498769  1     4     3     2
  C     1.39442768  1  120.7238844  1   44.5850736  1     5     4     3
  C     1.39276415  1  119.6646699  1  179.3696926  1     6     5     4
  C     1.39431754  1  120.0101370  1    0.1622693  1     7     6     5
  C     1.39437453  1  120.2115125  1   -0.6002252  1     8     7     6
  C     1.39304310  1  119.9497900  1    0.0709883  1     9     8     7
  C     1.47862327  1  110.5837251  1  125.4922857  1     2     1     3
  C     1.53164050  1  116.4552099  1  121.9483799  1     3     2     4
  O     1.20499286  1  121.1700551  1 -177.9797217  1     4     3     5
  H     1.09959844  1  114.5605879  1  -70.4676718  1     1     2     3
  H     1.10497281  1  109.8246556  1  121.6435412  1     1     2    14
  H     1.10292137  1  108.3434829  1  116.8586580  1     1     2    15
  H     1.12405405  1  107.3191557  1  122.2768673  1     3     2    12
  H     1.09438577  1  119.9184296  1 -179.2166963  1     6     5     7
  H     1.08761035  1  119.8970189  1 -179.8988726  1     7     6     8
  H     1.08833014  1  119.8972025  1 -179.7156031  1     8     7     9
  H     1.08765310  1  120.0632223  1 -179.5715164  1     9     8    10
  H     1.09098416  1  120.5004115  1 -178.6818010  1    10     9     8
  H     1.10224929  1  109.4155193  1  175.4222038  1    11     2     1
  H     1.09993285  1  114.5118455  1  122.0564554  1    11     2    23
  H     1.10321230  1  108.6453949  1  121.1933819  1    11     2    24
  H     1.09596712  1  111.2038922  1  172.1230381  1    12     3     2
  H     1.09957830  1  111.4295643  1  118.9680000  1    12     3    26
  H     1.09412222  1  111.5868515  1  120.6646263  1    12     3    27