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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 | -2385.0744240 | -2385.4350138 | 0.3605898 | 0.0000000 | 2385.4350138 | ||||||
| cm-1 | 196.5 | 169.0 | 27.5 | ||||||||
| eV | -64901.176 | 0.024 | -64901.151 | -64910.988 | 0.021 | -64910.967 | 9.812 | 0.003 | 9.816 | 0.000 | 64910.988 |