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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 | -639.1073972 | -639.4596036 | 0.3522064 | 0.0000000 | 639.4596036 | ||||||
| cm-1 | 262.0 | 282.0 | -19.9 | ||||||||
| eV | -17390.997 | 0.032 | -17390.964 | -17400.581 | 0.035 | -17400.546 | 9.584 | -0.002 | 9.582 | 0.000 | 17400.581 |