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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 | -46.4244409 | -46.7497066 | 0.3252657 | 0.0000000 | 46.7497066 | ||||||
| cm-1 | 407.7 | 469.8 | -62.1 | ||||||||
| eV | -1263.273 | 0.051 | -1263.223 | -1272.124 | 0.058 | -1272.066 | 8.851 | -0.008 | 8.843 | 0.000 | 1272.124 |