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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 | -113.8142626 | -114.2048413 | 0.3905788 | 0.0000000 | 114.2048413 | ||||||
| cm-1 | 5574.4 | 6027.6 | -453.2 | ||||||||
| eV | -3097.044 | 0.691 | -3096.352 | -3107.672 | 0.747 | -3106.924 | 10.628 | -0.056 | 10.572 | 0.000 | 3107.672 |