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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 | -421.9469771 | -422.3509380 | 0.4039609 | 0.0000000 | 422.3509380 | ||||||
| cm-1 | 570.1 | 574.3 | -4.2 | ||||||||
| eV | -11481.761 | 0.071 | -11481.690 | -11492.753 | 0.071 | -11492.682 | 10.992 | -0.001 | 10.992 | 0.000 | 11492.753 |