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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 | -539.9001713 | -540.2158444 | 0.3156730 | 0.0000000 | 540.2158444 | ||||||
| cm-1 | 1172.1 | 974.8 | 197.3 | ||||||||
| eV | -14691.431 | 0.145 | -14691.285 | -14700.021 | 0.121 | -14699.900 | 8.590 | 0.024 | 8.614 | 0.000 | 14700.021 |