PM7 Accuracy

n,n-dimethyl-1-adamantylcarboxamide   1013 N,N-Dimethyl-1-adamantylcarboxamide

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    #  Species Formula
  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-adamantylcarboxamide C13H21NO
  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
  1023 N,N-diethylureaC5H12N2O


DHf: -68.4 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
N,N-Dimethyl-1-adamantylcarboxamide
 H=-68.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54393178  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54171913  1  109.5736524  1    0.0000000  0     2     1     0
  C     1.54105062  1  109.8687036  1  -59.6253135  1     3     2     1
  C     1.54149861  1  109.5234583  1   59.2932407  1     4     3     2
  C     1.54736391  1  107.5388563  1   61.1508834  1     1     2     3
  C     1.53741627  1  108.8145700  1 -121.3838825  1     1     2     6
  H     1.11270311  1  110.1497960  1 -119.7780238  1     1     2     7
  H     1.10250491  1  110.6484162  1 -121.9405110  1     2     1     3
  H     1.10391127  1  109.8937023  1 -116.9782245  1     2     1     9
  H     1.11197822  1  109.4163173  1 -120.1702082  1     3     2     4
  C     1.54006423  1  109.5168579  1 -120.1376888  1     3     2    11
  H     1.10282627  1  110.3550468  1 -121.9940366  1     4     3     5
  H     1.10411586  1  110.0880744  1 -116.9604291  1     4     3    13
  H     1.11262867  1  109.5579573  1  179.6775181  1     5     4     3
  C     1.53806903  1  109.6772345  1 -119.8016455  1     5     4    15
  C     1.51638365  1  111.7607076  1  173.9069490  1     6     1     2
  H     1.11821040  1  107.2887606  1 -119.5989911  1     6     1    17
  H     1.10922609  1  110.1457597  1 -177.9194462  1     7     1     2
  C     1.53690530  1  109.7836913  1 -121.5504923  1     7     1    19
  H     1.10336125  1  110.0597202  1 -121.9860686  1     7     1    20
  H     1.10303862  1  110.3097496  1  178.8590945  1    12     3     2
  H     1.10337639  1  110.2722019  1 -117.1365397  1    12     3    22
  O     1.21797421  1  123.8318322  1   24.8997156  1    17     6     1
  H     1.10737537  1  109.9982564  1 -179.6160499  1    16     5     4
  H     1.10292535  1  110.2408657  1 -117.1537379  1    16     5    25
  H     1.11246103  1  109.6053012  1  179.2855850  1    20     7     1
  N     1.38226565  1  118.0605209  1 -179.6101561  1    17     6    24
  C     1.45921183  1  124.1992237  1    1.6312647  1    28    17     6
  C     1.46350289  1  119.6516904  1  178.5407004  1    28    17    29
  H     1.10463593  1  111.3870963  1  -48.7684277  1    29    28    17
  H     1.10557659  1  110.9632700  1  121.2128698  1    29    28    31
  H     1.10385845  1  110.9756411  1  119.6347563  1    29    28    32
  H     1.10260718  1  110.7869507  1  115.5601750  1    30    28    17
  H     1.11022114  1  110.4800175  1 -119.1004733  1    30    28    34
  H     1.10212055  1  110.8822836  1 -119.2246741  1    30    28    35