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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 | -37.4900333 | -37.7939076 | 0.3038743 | 0.0000000 | 37.7939076 | ||||||
| cm-1 | 1345.6 | 1384.1 | -38.5 | ||||||||
| eV | -1020.156 | 0.167 | -1019.989 | -1028.425 | 0.172 | -1028.253 | 8.269 | -0.005 | 8.264 | 0.000 | 1028.425 |