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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 | -16.9181787 | -17.2066617 | 0.2884829 | 0.0000000 | 17.2066617 | ||||||
| cm-1 | 228.9 | 183.3 | 45.5 | ||||||||
| eV | -460.367 | 0.028 | -460.339 | -468.217 | 0.023 | -468.194 | 7.850 | 0.006 | 7.856 | 0.000 | 468.217 |