PM7 Accuracy

(e)-3-(methylamino)-1-phenyl-but-2-enone   1003 (E)-3-(Methylamino)-1-phenyl-but-2-enone

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    #  Species Formula
   993 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   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-enone C11H13NO
  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


DHf: -12.8 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
(E)-3-(Methylamino)-1-phenyl-but-2-enone
 H=-12.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39444533  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39359511  1  120.0043512  1    0.0000000  0     2     1     0
  C     1.39401337  1  119.6719401  1   -0.0348572  1     3     2     1
  C     1.39457918  1  120.4530114  1    0.7358213  1     4     3     2
  C     1.39408246  1  120.1821582  1   -0.3423131  1     1     2     3
  C     1.49601454  1  120.8817210  1  178.6161353  1     4     3     5
  C     1.44319368  1  116.5883337  1   44.2891991  1     7     4     3
  C     1.36782474  1  124.7262250  1 -170.7595754  1     8     7     4
  N     1.37364984  1  122.1314922  1 -179.3695437  1     9     8     7
  C     1.46109465  1  122.2182203  1    0.7533975  1    10     9     8
  C     1.49693523  1  124.9691698  1 -179.2984506  1     9     8    10
  O     1.21690526  1  118.4020836  1  179.2886822  1     7     4     8
  H     1.08792502  1  119.8945417  1 -179.8538538  1     1     2     6
  H     1.08711446  1  120.0497576  1  179.7378684  1     2     1     3
  H     1.08887084  1  120.2166704  1  179.6705802  1     3     2     4
  H     1.09111223  1  119.6319350  1  178.4182389  1     5     4     3
  H     1.08760527  1  120.0547495  1 -179.6549471  1     6     1     2
  H     1.08524152  1  114.9375968  1 -179.3629265  1     8     7     9
  H     1.00301103  1  120.8125299  1  179.9627445  1    10     9    11
  H     1.10685404  1  111.0741069  1  -60.0501751  1    11    10     9
  H     1.10720478  1  111.0358770  1  120.2122148  1    11    10    21
  H     1.10172473  1  110.4024083  1  119.8468720  1    11    10    22
  H     1.09755075  1  112.1632530  1  115.9669862  1    12     9     8
  H     1.09800264  1  112.1777340  1  122.7341394  1    12     9    24
  H     1.11194878  1  111.6767955  1  118.2558555  1    12     9    25