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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 | -160.5285375 | -160.6482045 | 0.1196670 | 0.0000000 | 160.6482045 | ||||||
| cm-1 | 291.4 | 901.6 | -610.3 | ||||||||
| eV | -4368.204 | 0.036 | -4368.168 | -4371.460 | 0.112 | -4371.348 | 3.256 | -0.076 | 3.181 | 0.000 | 4371.460 |