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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 | -459.6402947 | -460.0662143 | 0.4259197 | 0.0000000 | 460.0662143 | ||||||
| cm-1 | 1309.4 | 1434.9 | -125.5 | ||||||||
| eV | -12507.448 | 0.162 | -12507.286 | -12519.038 | 0.178 | -12518.860 | 11.590 | -0.016 | 11.574 | 0.000 | 12519.038 |