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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 | -48.9798226 | -49.3107522 | 0.3309296 | 0.0000000 | 49.3107522 | ||||||
| cm-1 | 221.3 | 501.0 | -279.6 | ||||||||
| eV | -1332.809 | 0.027 | -1332.781 | -1341.814 | 0.062 | -1341.752 | 9.005 | -0.035 | 8.970 | 0.000 | 1341.814 |