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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 | -37.9008045 | -38.2726050 | 0.3718005 | -37.9007969 | 0.3718081 | ||||||
| cm-1 | 1419.4 | 1379.9 | 39.5 | ||||||||
| eV | -1031.333 | 0.176 | -1031.157 | -1041.451 | 0.171 | -1041.279 | 10.117 | 0.005 | 10.122 | -1031.333 | 10.117 |