PM7 Accuracy

6-methyl-2(1h)-pyridinone    961 6-Methyl-2(1H)-pyridinone

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    #  Species Formula
   951 2-Ethyl-4,5-dihydro-oxazoleC5H9NO
   952 N,N-Dimethylamino-2-propen-3-alC5H9NO
   953 1-(Dimethylamino)-2-propanoneC5H11NO
   954 2,2-Dimethyl-propanamideC5H11NO
   955 N,N-Dimethyl propanamideC5H11NO
   956 2-Hydroxy-6-methylpyridineC6H7NO
   957 2-Methyl-3-pyridinolC6H7NO
   958 3-Hydroxy-2-methylpyridineC6H7NO
   959 3-Hydroxy-6-methylpyridineC6H7NO
   960 4-Hydroxy-2-methylpyridineC6H7NO
   961 6-Methyl-2(1H)-pyridinone C6H7NO
   962 m-Amino phenolC6H7NO
   963 o-Amino phenolC6H7NO
   964 p-Amino phenolC6H7NO
   965 Trimethyl isoxazoleC6H9NO
   966 CaprolactamC6H11NO
   967 Cyclohexanone oximeC6H11NO
   968 N,N-Diethyl acetamideC6H13NO
   969 N,N-DimethylbutyramineC6H13NO
   970 BenzoxazoleC7H5NO
   971 IsocyanatobenzeneC7H5NO


DHf: -28.8 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
6-Methyl-2(1H)-pyridinone
 H=-28.75 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37595127  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.37554752  1  120.3464476  1    0.0000000  0     2     1     0
  C     1.42098818  1  119.7821149  1   -0.0329629  1     3     2     1
  C     1.36042881  1  120.7104756  1   -0.0203952  1     4     3     2
  C     1.44357997  1  121.0279937  1    0.0230106  1     5     4     3
  O     1.21299407  1  128.3094922  1 -179.9613692  1     6     5     4
  C     1.49221920  1  117.5041491  1  179.9799944  1     2     1     3
  H     1.08305603  1  120.7587327  1 -179.9961703  1     3     2     4
  H     1.09243241  1  118.3365617  1 -179.9932937  1     4     3     5
  H     1.08708313  1  123.0337372  1 -179.9964106  1     5     4     6
  H     1.10290054  1  110.9470084  1  120.9299306  1     8     2     1
  H     1.10291520  1  110.9525521  1  118.4832201  1     8     2    12
  H     1.09856997  1  114.0996829  1  120.7709355  1     8     2    13
  H     1.01634400  1  120.5918826  1 -179.9931598  1     1     2     3