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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 | -1415.9733918 | -1416.2680490 | 0.2946572 | 0.0000000 | 1416.2680490 | ||||||
| cm-1 | 1832.1 | 1555.8 | 276.3 | ||||||||
| eV | -38530.596 | 0.227 | -38530.368 | -38538.614 | 0.193 | -38538.421 | 8.018 | 0.034 | 8.052 | 0.000 | 38538.614 |