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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 | -161.4379618 | -161.7517811 | 0.3138193 | 0.0000000 | 161.7517811 | ||||||
| cm-1 | 1922.2 | 1994.2 | -71.9 | ||||||||
| eV | -4392.950 | 0.238 | -4392.712 | -4401.490 | 0.247 | -4401.243 | 8.539 | -0.009 | 8.531 | 0.000 | 4401.490 |