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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 | -54.7587719 | -55.1075184 | 0.3487465 | 0.0000000 | 55.1075184 | ||||||
| cm-1 | 3322.7 | 3842.2 | -519.6 | ||||||||
| eV | -1490.062 | 0.412 | -1489.650 | -1499.552 | 0.476 | -1499.075 | 9.490 | -0.064 | 9.425 | 0.000 | 1499.552 |