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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 | -153.3281188 | -153.6986211 | 0.3705023 | 0.0000000 | 153.6986211 | ||||||
| cm-1 | 11593.3 | 12349.1 | -755.8 | ||||||||
| eV | -4172.270 | 1.437 | -4170.833 | -4182.352 | 1.531 | -4180.821 | 10.082 | -0.094 | 9.988 | 0.000 | 4182.352 |