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Hartree to cm⁻¹ Conversion Table

This document provides a conversion table for common energy units including hartree, eV, cm-1, kcal/mol, kJ/mol, oK, J, and Hz. The table allows users to convert between these units by multiplying the value in one unit by the corresponding factor in the table. For example, 1 hartree equals 27.2107 eV. For conversions requiring high accuracy, the document recommends using the National Institute of Standards and Technology website.

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Roja Reddy
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93 views1 page

Hartree to cm⁻¹ Conversion Table

This document provides a conversion table for common energy units including hartree, eV, cm-1, kcal/mol, kJ/mol, oK, J, and Hz. The table allows users to convert between these units by multiplying the value in one unit by the corresponding factor in the table. For example, 1 hartree equals 27.2107 eV. For conversions requiring high accuracy, the document recommends using the National Institute of Standards and Technology website.

Uploaded by

Roja Reddy
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd

8/26/2014 Conversion Table

Most of these numbers have been taken from an old book by Karplus and Porter. To convert from a unit Y in
the left hand column to a unit X in the top row, mutiply by the table element, MX,Y. Example:
1 hartree = 27.2107 eV
When accuracy is very important, I recommend going instead to the NIST website: Fundamental Physical
Constants from NIST
Energy Conversion Table
hartree eV cm-1 kcal/mol kJ/mol oK J Hz
43.60 x 6.57966 x
hartree 1 27.2107 219 474.63 627.503 2 625.5 315 777.
10-19 10+15
1.602 10 x 2.418 04 x
eV 0.0367502 1 8 065.73 23.060 9 96.486 9 11 604.9
10-19 10+14
4.556 33 x 1.239 81 x 0.002 859 0.011 1.986 30 x 2.997 93 x
cm-1 1 1.428 79
10-6 10-4 11 962 7 10-23 10+10

kcal/mol
0.001 593 0.043 363
349.757 1 4.18400 503.228 6.95 x 10- 1.048 54 x
62 4 21 10+13

kJ/mol
0.000 380 0.010 364
83.593 0.239001 1 120.274 1.66 x 10- 2.506 07 x
88 10 21 10+12

oK 0.000 003 0.000 086 0.001 987 0.008 1.380 54 x 2.083 64 x


0.695 028 1
166 78 170 5 17 314 35 10-23 10+10
2.294 x 6.241 81 x 5.034 45 x 1.44 x 6.02 x 7.243 54 x 1.509 30 x
J 1
10+17 10+18 10+22 10+20 10+20 10+22 10+33
1.519 83 x 4.135 58 x 3.335 65 x 9.537 02 x 4.799 30 x 6.625 61 x
Hz 1
10-16 10-15 10-11 10-14 10-11 10-34

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