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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 | -702.3623929 | -702.7004253 | 0.3380324 | 0.0000000 | 702.7004253 | ||||||
| cm-1 | 292.7 | 224.3 | 68.4 | ||||||||
| eV | -19112.253 | 0.036 | -19112.216 | -19121.451 | 0.028 | -19121.423 | 9.198 | 0.008 | 9.207 | 0.000 | 19121.451 |