PM7 Accuracy

2-(diethylamino)-1-phenylethanone   1009 2-(Diethylamino)-1-phenylethanone

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    #  Species Formula
   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-phenylethanone C12H17NO
  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 furazanC4H6N2O


DHf: -23.0 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-(Diethylamino)-1-phenylethanone
 H=-23.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53078342  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.20638673  1  119.5152393  1    0.0000000  0     2     1     0
  C     1.48247576  1  118.6084170  1 -175.5128523  1     2     1     3
  C     1.39569992  1  118.4622429  1  116.1741620  1     4     2     1
  C     1.39267078  1  119.6184366  1 -179.6220015  1     5     4     2
  C     1.39471650  1  120.0374866  1   -0.7836371  1     6     5     4
  C     1.39359276  1  120.1412010  1   -0.1213686  1     7     6     5
  C     1.39371814  1  120.0186440  1    0.5486977  1     8     7     6
  N     1.47569485  1  108.6660673  1 -124.4191118  1     1     2     3
  C     1.48669693  1  111.7030823  1   97.5358673  1    10     1     2
  C     1.53196162  1  110.1777072  1  -66.5409140  1    11    10     1
  C     1.48626859  1  111.9331076  1  124.9734147  1    10     1    11
  C     1.53331286  1  109.9846678  1   71.7149419  1    13    10     1
  H     1.11380142  1  109.1536159  1  123.8198712  1     1     2    10
  H     1.11264427  1  107.9302451  1  114.8066960  1     1     2    15
  H     1.08972858  1  120.0591196  1 -179.5432851  1     5     4     6
  H     1.08768235  1  119.9482633  1 -179.6276080  1     6     5     7
  H     1.08805980  1  119.9012040  1 -179.7382108  1     7     6     8
  H     1.08763162  1  120.1334964  1  179.9602571  1     8     7     9
  H     1.09387030  1  120.4625679  1  179.2618664  1     9     8     7
  H     1.11058693  1  112.6576609  1  123.5108153  1    11    10    12
  H     1.11364860  1  107.6681517  1  117.7669860  1    11    10    22
  H     1.09784354  1  111.1981930  1  -48.4920521  1    12    11    10
  H     1.09820083  1  112.0215423  1  119.3503282  1    12    11    24
  H     1.09415867  1  111.0899111  1  120.5109842  1    12    11    25
  H     1.11351591  1  108.0474024  1  118.6246648  1    13    10    14
  H     1.11014064  1  112.7035793  1  117.7189997  1    13    10    27
  H     1.09454210  1  112.3979819  1  -70.3040039  1    14    13    10
  H     1.09967589  1  110.7196863  1  119.2988512  1    14    13    29
  H     1.09414482  1  111.0422234  1  119.7601129  1    14    13    30