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Converters

#### Energy Unit Converter

hartree kcal/mol kJ/mol eV J
cm-1 nm K Hz sec

#### Pressure Converter

Pa bar atm torr psi

#### Temperature Converte

K °C °F
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

Last Update : 2020-10-01 |

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