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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 | -0.6023049 | -1.1330888 | 0.5307840 | 0.0000000 | 1.1330888 | ||||||
| cm-1 | 1049.5 | 2074.5 | -1025.0 | ||||||||
| eV | -16.390 | 0.130 | -16.259 | -30.833 | 0.257 | -30.576 | 14.443 | -0.127 | 14.316 | 0.000 | 30.833 |