Converters
Energy Unit Converter
Length Unit Converter
Pressure Converter
Temperature Converte
Constants and Conversion Factors
- 1 Kcal-mol-1 = 4.184 KJoules-mol-1
- 1 Hartree = 627.5095 kcal-mol-1
- = 27.2114 eV
- = 219474.63 cm-1 ( vibrational freq. au )
- 1 Electron volt ( eV ) = 1.602176565 × 10 -19 Joules
- = 23.06 kcal-mol-1
- 1 Bohr ( a0 ) = 0.52917721092 Å
- 1 Hartree ( Eh ) = 4.35974434 × 10 -18 Joules
- 1 Atomic mass unit ( mu ) =1.660538921 × 10 -27 kilograms
- 1 Electron charge ( e ) = 1.602176565 × 10 -19 Coulombs
- = 4.803204 × 10 -10 ESU
- Planck's constant ( h ) = 6.62606957 × 10 -34 Joule-secs
- Avogadro's number ( NA ) = 6.02214129 × 10 23
- Gas constant R = 8.31441 J-K-1-mol-1
- Boltzman constant ( k ) = 1.3806488 × 10 -23 Joules-degree-1
- Speed of light ( c ) = 2.99792458 × 10 10 cm-sec-1
- Inverse fine structure constant ( α -1 ) = 137.035999074
- Molar volume of ideal gas at 273.15 K ( Vm ) = 0.022710953 m3
- Proton rest mass ( mp ) = 1.672621777 × 10 -27 kg
- Electron magnetic moment ( μ e ) = -9.28476430 × 10 -24 J-T-1
- Free electron g-factor( ge ) = -2.00231930466153
- Electron mass ( me ) = 0.910938291 × 10 -30 kg
- Proton electron mass ratio ( mp/me ) = 1836.15267245
- 1 Atomic mass unit ( amu ) = 1.660538921 × 10 -27kg
- = 1822.8885 electron mass
- 1 Debye2-angstrom-2-amu-1 = 42.2561 km-mol-1
- = 5.82573 × 10 -3cm-2-atm-1 at STP
- Electric field: 1 au = 5.14220652 × 10 11 V-m-1
- Electric polarizability: 1 au = 1.6487772754 × 10 -41 C2-m2-J-1
- 1 Bohr-electron = 8.47835326 × 10 -30 C-m
- =2.541746 Debye
- =2.541746 × 10 -18 esu-cm
- From Gaussian 16 Users Reference, 09 November 2017. [G16 Rev. B.01] page 88-89