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This graph shows the potential energy for a C=O bond using a harmonic potential:
,
with the parameters given
in the AMBER potential energy function. The bond constant K_r is
570 kcal/(molÅ^2) and the equilibrium bond length is 1.229 Å
(
) .
The dashed red lines indicates an energy of 0.29 kcal/mol which is equal
to 1/2RT at a temperature of 300K. This is the energy that an
individual degree of freedom can expect at this temperature and
indicates that a this bond could be expect to be undergoing vibrations
of the order of 0.03 Å at room temperature.