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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 | -38.7316102 | -39.1115287 | 0.3799185 | 0.0000000 | 39.1115287 | ||||||
| cm-1 | 3648.5 | 3842.3 | -193.8 | ||||||||
| eV | -1053.941 | 0.452 | -1053.488 | -1064.279 | 0.476 | -1063.802 | 10.338 | -0.024 | 10.314 | 0.000 | 1064.279 |