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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 | -2562.1926370 | -2562.6179317 | 0.4252947 | 0.0000000 | 2562.6179317 | ||||||
| cm-1 | 1160.7 | 1263.9 | -103.2 | ||||||||
| eV | -69720.807 | 0.144 | -69720.663 | -69732.380 | 0.157 | -69732.224 | 11.573 | -0.013 | 11.560 | 0.000 | 69732.380 |