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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 | -473.6767062 | -474.0224058 | 0.3456996 | 0.0000000 | 474.0224058 | ||||||
| cm-1 | 2638.2 | 2776.8 | -138.6 | ||||||||
| eV | -12889.399 | 0.327 | -12889.072 | -12898.806 | 0.344 | -12898.461 | 9.407 | -0.017 | 9.390 | 0.000 | 12898.806 |