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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 | -153.4034221 | -153.7863682 | 0.3829461 | 0.0000000 | 153.7863682 | ||||||
| cm-1 | 11486.4 | 12146.0 | -659.6 | ||||||||
| eV | -4174.319 | 1.424 | -4172.895 | -4184.740 | 1.506 | -4183.234 | 10.420 | -0.082 | 10.339 | 0.000 | 4184.740 |