PM7 Accuracy

1-propanone, 2-(diethylamino)-1-phenyl-   1012 1-Propanone, 2-(diethylamino)-1-phenyl-

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    #  Species Formula
  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
  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
  1022 (1-Methylpropyl) ureaC5H12N2O


DHf: -29.7 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-(diethylamino)-1-phenyl-
 H=-29.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53595905  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.48384030  1  107.9140744  1    0.0000000  0     2     1     0
  C     1.47717254  1  113.7918773  1  112.5154043  1     3     2     1
  C     1.53965953  1  107.3102098  1  -59.1357513  1     4     3     2
  C     1.48110825  1  118.1434733  1  -79.6907454  1     5     4     3
  C     1.39473577  1  121.4770797  1   34.6790709  1     6     5     4
  C     1.39273947  1  119.7875313  1  179.0114010  1     7     6     5
  C     1.39435074  1  120.0223583  1    0.1736352  1     8     7     6
  C     1.39439245  1  120.1804878  1   -0.4771347  1     9     8     7
  C     1.39267943  1  119.9245334  1    0.0579573  1    10     9     8
  O     1.20649698  1  120.5644423  1 -177.9017403  1     5     4     6
  C     1.53292238  1  116.0967429  1  122.4746509  1     4     3     5
  C     1.48280208  1  112.8938955  1  128.7106771  1     3     2     4
  C     1.53456756  1  109.0177284  1   73.0839425  1    14     3     2
  H     1.09755633  1  111.0566439  1  -59.2227019  1     1     2     3
  H     1.09546671  1  111.1629010  1  118.9436717  1     1     2    16
  H     1.09372904  1  111.0377847  1  120.9481202  1     1     2    17
  H     1.11308592  1  109.5017633  1  122.0832247  1     2     1     3
  H     1.10945876  1  109.9144487  1  116.0465632  1     2     1    19
  H     1.12514718  1  106.9586189  1  121.7346921  1     4     3    13
  H     1.09556170  1  119.9909503  1 -179.0410251  1     7     6     8
  H     1.08754568  1  119.8659922  1 -179.8987153  1     8     7     9
  H     1.08836460  1  119.9247802  1 -179.7557823  1     9     8    10
  H     1.08753564  1  120.0799558  1 -179.6536669  1    10     9    11
  H     1.09188532  1  120.4857933  1 -178.8349520  1    11    10     9
  H     1.09663844  1  111.0677875  1  177.1419398  1    13     4     3
  H     1.09864750  1  111.5874229  1  118.5544217  1    13     4    27
  H     1.09354360  1  111.6500681  1  120.9139594  1    13     4    28
  H     1.11273476  1  108.8609682  1  118.9783979  1    14     3    15
  H     1.11061977  1  112.6889240  1  118.2111888  1    14     3    30
  H     1.09511863  1  111.8003262  1  -67.6370108  1    15    14     3
  H     1.09793250  1  110.7011227  1  119.2125677  1    15    14    32
  H     1.09371355  1  111.0097128  1  120.0812901  1    15    14    33