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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 | -200.3631196 | -200.6232315 | 0.2601118 | 0.0000000 | 200.6232315 | ||||||
| cm-1 | 816.4 | 705.6 | 110.8 | ||||||||
| eV | -5452.158 | 0.101 | -5452.057 | -5459.236 | 0.087 | -5459.148 | 7.078 | 0.014 | 7.092 | 0.000 | 5459.236 |