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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 | -113.4621710 | -113.9032807 | 0.4411097 | 0.0000000 | 113.9032807 | ||||||
| cm-1 | 2170.6 | 1767.8 | 402.8 | ||||||||
| eV | -3087.463 | 0.269 | -3087.194 | -3099.466 | 0.219 | -3099.247 | 12.003 | 0.050 | 12.053 | 0.000 | 3099.466 |