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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 | -24.0865437 | -24.4823590 | 0.3958153 | 0.0000000 | 24.4823590 | ||||||
| cm-1 | 104.5 | 423.6 | -319.1 | ||||||||
| eV | -655.428 | 0.013 | -655.415 | -666.199 | 0.053 | -666.146 | 10.771 | -0.040 | 10.731 | 0.000 | 666.199 |