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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 | -49.0618514 | -49.3898870 | 0.3280356 | 0.0000000 | 49.3898870 | ||||||
| cm-1 | 187.1 | 481.9 | -294.9 | ||||||||
| eV | -1335.041 | 0.023 | -1335.018 | -1343.967 | 0.060 | -1343.907 | 8.926 | -0.037 | 8.890 | 0.000 | 1343.967 |