Tool

Quantum Chemistry Unit Converter

energy · force · atomic units
Energy
eV
mHa / mEh
kcal/mol
Ha / Eh
cm¹
kJ/mol
Force / Gradient
eV/Å
eV/Bohr
mHa/Å
mHa/Bohr
kcal/mol/Å
kcal/mol/Bohr
Ha/Bohr
Ha/Å
Conversion constants (NIST 2018 CODATA)
1 Ha=27.211 386 eV
1 Ha=627.509 kcal/mol
1 Ha=2625.50 kJ/mol
1 Ha=219 474.6 cm¹
1 Bohr=0.529 177 Å