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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 | -111.9902037 | -112.2141827 | 0.2239790 | 0.0000000 | 112.2141827 | ||||||
| cm-1 | 2800.9 | 2609.5 | 191.4 | ||||||||
| eV | -3047.408 | 0.347 | -3047.061 | -3053.503 | 0.324 | -3053.180 | 6.095 | 0.024 | 6.119 | 0.000 | 3053.503 |