PM7 Accuracy

1-adamantanecarboxamide   1006 1-Adamantanecarboxamide

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    #  Species Formula
   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-Adamantanecarboxamide C11H17NO
  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


DHf: -76.2 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-Adamantanecarboxamide
 H=-76.2 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54123588  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54091957  1  109.5173141  1    0.0000000  0     2     1     0
  C     1.54028797  1  109.6435162  1  -59.7361967  1     3     2     1
  C     1.54165221  1  109.6705544  1   59.6418003  1     4     3     2
  C     1.54680323  1  108.2799405  1   60.8559911  1     1     2     3
  C     1.53837081  1  109.1246189  1 -120.8995328  1     1     2     6
  H     1.11424439  1  110.1327139  1 -119.8349564  1     1     2     7
  H     1.10294595  1  110.6196033  1 -121.8780932  1     2     1     3
  H     1.10407570  1  109.9874720  1 -116.9589646  1     2     1     9
  H     1.11203455  1  109.4961809  1 -120.1573821  1     3     2     4
  C     1.54037882  1  109.5166907  1 -120.1097367  1     3     2    11
  H     1.10321682  1  110.3246887  1 -121.9839459  1     4     3     5
  H     1.10419978  1  110.0847704  1 -116.8561925  1     4     3    13
  H     1.11188691  1  109.0900450  1  179.4952692  1     5     4     3
  C     1.53889681  1  109.5065714  1 -119.6521975  1     5     4    15
  C     1.51532332  1  110.6380224  1  173.6349490  1     6     1     2
  H     1.11934089  1  108.1983685  1 -117.7788448  1     6     1    17
  H     1.10785395  1  110.1019130  1 -177.7765862  1     7     1     2
  C     1.53723720  1  109.7818626  1 -121.9572615  1     7     1    19
  H     1.10377890  1  110.0160318  1 -121.8154747  1     7     1    20
  H     1.10317414  1  110.2906699  1  178.6238691  1    12     3     2
  H     1.10365177  1  110.2296294  1 -117.0376838  1    12     3    22
  O     1.21339060  1  125.0979535  1    0.0321716  1    17     6     1
  H     1.10533517  1  110.3175945  1  179.5150984  1    16     5     4
  H     1.10349936  1  110.1786112  1 -117.1177574  1    16     5    25
  H     1.11240874  1  109.6409796  1  179.6308958  1    20     7     1
  N     1.38831283  1  116.5580665  1 -176.8885937  1    17     6    24
  H     0.99260915  1  123.1736949  1   -5.8647634  1    28    17     6
  H     1.00042753  1  119.5612612  1 -173.5174979  1    28    17    29