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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 | -49.0440361 | -49.3759357 | 0.3318996 | 0.0000000 | 49.3759357 | ||||||
| cm-1 | 198.4 | 502.6 | -304.2 | ||||||||
| eV | -1334.556 | 0.025 | -1334.531 | -1343.588 | 0.062 | -1343.525 | 9.031 | -0.038 | 8.994 | 0.000 | 1343.588 |