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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 | -2473.2498007 | -2473.6384086 | 0.3886079 | 0.0000000 | 2473.6384086 | ||||||
| cm-1 | 507.4 | 439.5 | 67.9 | ||||||||
| eV | -67300.550 | 0.063 | -67300.487 | -67311.124 | 0.054 | -67311.070 | 10.575 | 0.008 | 10.583 | 0.000 | 67311.124 |