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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 | -75.2230569 | -75.6935249 | 0.4704679 | 0.0000000 | 75.6935249 | ||||||
| cm-1 | 1355.6 | 1640.7 | -285.1 | ||||||||
| eV | -2046.923 | 0.168 | -2046.755 | -2059.726 | 0.203 | -2059.522 | 12.802 | -0.035 | 12.767 | 0.000 | 2059.726 |