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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 | -467.6138007 | -467.9105905 | 0.2967898 | 0.0000000 | 467.9105905 | ||||||
| cm-1 | 526.2 | 525.2 | 1.0 | ||||||||
| eV | -12724.419 | 0.065 | -12724.353 | -12732.495 | 0.065 | -12732.430 | 8.076 | 0.000 | 8.076 | 0.000 | 12732.495 |