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FGH1D Uses

          lengths in Ångströms (Å); 1 Å = 10-10 m
          energies in wavenumbers (cm-1); 1 cm-1 = 0.011962 kJ/mol
          masses in atomic mass units (amu); 1 amu = 1.6611 10-27 kg

For torsional potentials instead of lengths, the angle is used in radians and instead of mass the moment of inertia is used in amu Å2.

Created May 18, 2016, Updated August 25, 2016