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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 | -323.9080087 | -324.4508420 | 0.5428333 | 0.0000000 | 324.4508420 | ||||||
| cm-1 | 2188.8 | 2671.7 | -482.9 | ||||||||
| eV | -8813.985 | 0.271 | -8813.714 | -8828.756 | 0.331 | -8828.425 | 14.771 | -0.060 | 14.711 | 0.000 | 8828.756 |