ccCA code defect


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ccCA thermochemistry ground state energy calculation has a small code defect.

Zero-point energy, while initially reported by src/vib/vib_wrtfreq/vib_WRTFREQ()
in kcal/mol units, is stored in the RTDB in Hartree (AU) units and requires no conversion
for use in the ccCA ground state energy calculation.

Please comment out:
722 : src/ccca/ccca_utils:ccca_print() zpe = zpe / AUKCAL

-Thanks,
Daniel R. Haney