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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 | -1662.0600092 | -1662.3625375 | 0.3025283 | 0.0000000 | 1662.3625375 | ||||||
| cm-1 | 1279.1 | 1072.8 | 206.2 | ||||||||
| eV | -45226.953 | 0.159 | -45226.794 | -45235.185 | 0.133 | -45235.052 | 8.232 | 0.026 | 8.258 | 0.000 | 45235.185 |