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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 | -118.2213378 | -118.4897577 | 0.2684199 | 0.0000000 | 118.4897577 | ||||||
| cm-1 | 19425.9 | 19449.7 | -23.8 | ||||||||
| eV | -3216.966 | 2.409 | -3214.558 | -3224.270 | 2.411 | -3221.859 | 7.304 | -0.003 | 7.301 | 0.000 | 3224.270 |