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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 | -15.3931069 | -15.8132390 | 0.4201321 | 0.0000000 | 15.8132390 | ||||||
| cm-1 | 1809.5 | 2813.8 | -1004.3 | ||||||||
| eV | -418.868 | 0.224 | -418.643 | -430.300 | 0.349 | -429.951 | 11.432 | -0.125 | 11.308 | 0.000 | 430.300 |