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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 | -467.4109539 | -467.7048905 | 0.2939366 | 0.0000000 | 467.7048905 | ||||||
| cm-1 | 536.5 | 528.9 | 7.6 | ||||||||
| eV | -12718.899 | 0.067 | -12718.832 | -12726.897 | 0.066 | -12726.832 | 7.998 | 0.001 | 7.999 | 0.000 | 12726.897 |