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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 | -49.0417697 | -49.3699610 | 0.3281913 | 0.0000000 | 49.3699610 | ||||||
| cm-1 | 210.1 | 517.9 | -307.8 | ||||||||
| eV | -1334.494 | 0.026 | -1334.468 | -1343.425 | 0.064 | -1343.361 | 8.931 | -0.038 | 8.892 | 0.000 | 1343.425 |