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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 | -38.0236245 | -38.4104248 | 0.3868003 | 0.0000000 | 38.4104248 | ||||||
| cm-1 | 1424.7 | 1416.9 | 7.8 | ||||||||
| eV | -1034.675 | 0.177 | -1034.499 | -1045.201 | 0.176 | -1045.025 | 10.525 | 0.001 | 10.526 | 0.000 | 1045.201 |