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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 | -153.2547891 | -153.6360221 | 0.3812330 | 0.0000000 | 153.6360221 | ||||||
| cm-1 | 11505.2 | 12146.3 | -641.1 | ||||||||
| eV | -4170.275 | 1.426 | -4168.848 | -4180.649 | 1.506 | -4179.143 | 10.374 | -0.079 | 10.294 | 0.000 | 4180.649 |