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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 | -412.5583568 | -412.8918164 | 0.3334596 | 0.0000000 | 412.8918164 | ||||||
| cm-1 | 407.9 | 474.9 | -67.0 | ||||||||
| eV | -11226.284 | 0.051 | -11226.233 | -11235.358 | 0.059 | -11235.299 | 9.074 | -0.008 | 9.066 | 0.000 | 11235.358 |