MOPAC

[mes -8 at 8- atlas.chemistry.uakron.edu (mary ellen scott)]

 Is anyone working with "simple sugars" and doing geometry
 optimizations?
 I am looking for a literature value for the heat of formation of Glucose.
 The Quanta/Mopac interface give -266kcal/mole.  I am not sure that mopac
 is actually reading the imput file from quanta correctly.  I cannot find
 the proper # of bonds in the output and the C1-O5 bond is not defined in
 z-matrix.
 If anyone is familiar with some references on MO calculations for glucose
 that would be great.  And If anyone is working with the quanta/mopac
 interface- lets talk.
 Thanks in advance.
 Mary Ellen