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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 | -29.0453231 | -29.3011249 | 0.2558019 | 0.0000000 | 29.3011249 | ||||||
| cm-1 | 253.9 | 116.7 | 137.2 | ||||||||
| eV | -790.363 | 0.031 | -790.332 | -797.324 | 0.014 | -797.310 | 6.961 | 0.017 | 6.978 | 0.000 | 797.324 |