NFN

Thermodynamic Parameters

HF/3-21G*

DFT/3-21G*

Zero-point correction (Hartree/Particle)

0.312279

0.289931

Thermal correction to Energy

0.331241

0.310499

Thermal correction to Enthalpy

0.332185

0.311443

Thermal correction to Gibbs Free Energy

0.263418

0.240011