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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 | -55.1476501 | -55.5796748 | 0.4320247 | 0.0000000 | 55.5796748 | ||||||
| cm-1 | 3480.5 | 3983.6 | -503.0 | ||||||||
| eV | -1500.644 | 0.432 | -1500.212 | -1512.400 | 0.494 | -1511.906 | 11.756 | -0.062 | 11.694 | 0.000 | 1512.400 |