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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -56.1944303 | -56.5602459 | 0.3658157 | 0.0000000 | 56.5602459 | ||||||
| cm-1 | 6919.6 | 7277.1 | -357.5 | ||||||||
| eV | -1529.128 | 0.858 | -1528.270 | -1539.083 | 0.902 | -1538.180 | 9.954 | -0.044 | 9.910 | 0.000 | 1539.083 |