Accuracy

benzamide    827 Benzamide

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    #  Species Formula
   817 m-Amino phenolC6H7NO
   818 o-Amino phenolC6H7NO
   819 p-Amino phenolC6H7NO
   820 Trimethyl isoxazoleC6H9NO
   821 CaprolactamC6H11NO
   822 Cyclohexanone oximeC6H11NO
   823 N,N-Diethyl acetamideC6H13NO
   824 N,N-DimethylbutyramineC6H13NO
   825 BenzoxazoleC7H5NO
   826 IsocyanatobenzeneC7H5NO
   827 Benzamide C7H7NO
   828 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   829 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   830 N,N-DiethylaminoacetoneC7H15NO
   831 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   832 alpha-oxo BenzeneacetonitrileC8H5NO
   833 N-methyl-N-phenyl formamideC8H9NO
   834 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   835 Octanone-1-oximeC8H17NO
   836 Octanone-2-oximeC8H17NO
   837 Octanone-3-oximeC8H17NO


ΔHf: -24.1 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.
  

Benzamide
 H=-24.12 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39499241 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39359009 +1  119.8864103 +1    0.0000000 +0     2     1     0
  C     1.39438159 +1  120.1645819 +1    0.0374853 +1     3     2     1
  C     1.39375836 +1  120.0351877 +1    0.0361454 +1     4     3     2
  C     1.39247535 +1  119.9091787 +1   -0.0113545 +1     5     4     3
  C     1.48694679 +1  123.8945720 +1  179.9912606 +1     1     2     3
  N     1.38289851 +1  119.2974663 +1   -0.2751809 +1     7     1     2
  O     1.21743781 +1  122.3927475 +1 -179.9950692 +1     7     1     8
  H     1.08777851 +1  121.1511766 +1  179.9904258 +1     2     1     3
  H     1.08828811 +1  119.8917464 +1  179.9987800 +1     3     2     4
  H     1.08915047 +1  119.9270385 +1 -179.9982915 +1     4     3     5
  H     1.08875965 +1  120.1502717 +1  179.9898146 +1     5     4     6
  H     1.09550296 +1  120.4308420 +1  179.9748062 +1     6     5     4
  H     0.99182378 +1  123.8527782 +1   -0.0249886 +1     8     7     1
  H     1.00171512 +1  119.1375776 +1 -179.9729804 +1     8     7    15