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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 | -212.8041139 | -213.2370697 | 0.4329558 | 0.0000000 | 213.2370697 | ||||||
| cm-1 | 4167.9 | 4426.4 | -258.5 | ||||||||
| eV | -5790.694 | 0.517 | -5790.178 | -5802.476 | 0.549 | -5801.927 | 11.781 | -0.032 | 11.749 | 0.000 | 5802.476 |