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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 | -794.9770535 | -795.3064106 | 0.3293570 | 0.0000000 | 795.3064106 | ||||||
| cm-1 | 338.3 | 326.7 | 11.7 | ||||||||
| eV | -21632.426 | 0.042 | -21632.384 | -21641.388 | 0.041 | -21641.348 | 8.962 | 0.001 | 8.964 | 0.000 | 21641.388 |