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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 | -422.5532182 | -422.9733680 | 0.4201497 | 0.0000000 | 422.9733680 | ||||||
| cm-1 | 585.2 | 567.3 | 17.9 | ||||||||
| eV | -11498.258 | 0.073 | -11498.185 | -11509.691 | 0.070 | -11509.620 | 11.433 | 0.002 | 11.435 | 0.000 | 11509.691 |