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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 | -253.7368061 | -254.1539974 | 0.4171913 | 0.0000000 | 254.1539974 | ||||||
| cm-1 | 1511.6 | 1222.3 | 289.4 | ||||||||
| eV | -6904.530 | 0.187 | -6904.342 | -6915.882 | 0.152 | -6915.730 | 11.352 | 0.036 | 11.388 | 0.000 | 6915.882 |