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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 | -48.9489556 | -49.2582142 | 0.3092586 | 0.0000000 | 49.2582142 | ||||||
| cm-1 | 212.9 | 485.7 | -272.8 | ||||||||
| eV | -1331.969 | 0.026 | -1331.942 | -1340.384 | 0.060 | -1340.324 | 8.415 | -0.034 | 8.382 | 0.000 | 1340.384 |