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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 | -1418.4236875 | -1418.7258303 | 0.3021429 | 0.0000000 | 1418.7258303 | ||||||
| cm-1 | 1871.3 | 1538.1 | 333.2 | ||||||||
| eV | -38597.271 | 0.232 | -38597.039 | -38605.493 | 0.191 | -38605.302 | 8.222 | 0.041 | 8.263 | 0.000 | 38605.493 |