PM7 Accuracy

benzoxazole    970 Benzoxazole

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    #  Species Formula
   960 4-Hydroxy-2-methylpyridineC6H7NO
   961 6-Methyl-2(1H)-pyridinoneC6H7NO
   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 Benzoxazole C7H5NO
   971 IsocyanatobenzeneC7H5NO
   972 BenzamideC7H7NO
   973 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   974 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   975 N,N-DiethylaminoacetoneC7H15NO
   976 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   977 alpha-oxo BenzeneacetonitrileC8H5NO
   978 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   979 N-methyl-N-phenyl formamideC8H9NO
   980 Octanone-1-oximeC8H17NO


DHf: 10.8 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
Benzoxazole
 H=10.79 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39316824  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40435654  1  122.0591045  1    0.0000000  0     2     1     0
  C     1.39449877  1  121.9957831  1   -0.0236452  1     3     2     1
  C     1.38204430  1  115.5051567  1   -0.0132875  1     4     3     2
  C     1.42428841  1  123.4448968  1   -0.0049504  1     5     4     3
  N     1.41376420  1  107.2300802  1 -179.9979097  1     6     5     4
  C     1.30689902  1  106.1419671  1    0.0051164  1     7     6     5
  O     1.37985079  1  128.4310471  1 -179.9973209  1     5     4     6
  H     1.08808857  1  122.1201766  1 -179.9901401  1     1     2     3
  H     1.09014529  1  119.1562015  1  179.9936974  1     2     1     3
  H     1.09092686  1  118.8891330  1 -179.9932493  1     3     2     4
  H     1.08528427  1  122.3194149  1 -179.9957728  1     4     3     5
  H     1.07303101  1  132.0391215  1  179.9960004  1     8     7     6