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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 | -2620.1963021 | -2620.4899201 | 0.2936180 | 0.0000000 | 2620.4899201 | ||||||
| cm-1 | 392.7 | 352.5 | 40.2 | ||||||||
| eV | -71299.167 | 0.049 | -71299.119 | -71307.157 | 0.044 | -71307.113 | 7.990 | 0.005 | 7.995 | 0.000 | 71307.157 |