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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 | -4795.1291411 | -4795.4436153 | 0.3144743 | 0.0000000 | 4795.4436153 | ||||||
| cm-1 | 180.1 | 182.5 | -2.4 | ||||||||
| eV | -130482.100 | 0.022 | -130482.077 | -130490.657 | 0.023 | -130490.634 | 8.557 | -0.000 | 8.557 | 0.000 | 130490.657 |