Accuracy

benzoxazole    967 Benzoxazole

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    #  Species Formula
   957 4-Hydroxy-2-methylpyridineC6H7NO
   958 6-Methyl-2(1H)-pyridinoneC6H7NO
   959 m-Amino phenolC6H7NO
   960 o-Amino phenolC6H7NO
   961 p-Amino phenolC6H7NO
   962 Trimethyl isoxazoleC6H9NO
   963 CaprolactamC6H11NO
   964 Cyclohexanone oximeC6H11NO
   965 N,N-Diethyl acetamideC6H13NO
   966 N,N-DimethylbutyramineC6H13NO
   967 Benzoxazole C7H5NO
   968 IsocyanatobenzeneC7H5NO
   969 BenzamideC7H7NO
   970 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   971 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   972 N,N-DiethylaminoacetoneC7H15NO
   973 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   974 alpha-oxo BenzeneacetonitrileC8H5NO
   975 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   976 N-methyl-N-phenyl formamideC8H9NO
   977 Octanone-1-oximeC8H17NO


ΔHf: 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