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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 | -1194.2476171 | -1194.5917398 | 0.3441227 | 0.0000000 | 1194.5917398 | ||||||
| cm-1 | 586.3 | 660.0 | -73.7 | ||||||||
| eV | -32497.130 | 0.073 | -32497.058 | -32506.494 | 0.082 | -32506.413 | 9.364 | -0.009 | 9.355 | 0.000 | 32506.494 |