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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 | -107.0351899 | -107.4381066 | 0.4029167 | 0.0000000 | 107.4381066 | ||||||
| cm-1 | 112.8 | 437.6 | -324.8 | ||||||||
| eV | -2912.576 | 0.014 | -2912.562 | -2923.540 | 0.054 | -2923.485 | 10.964 | -0.040 | 10.924 | 0.000 | 2923.540 |