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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 | -131.4434968 | -131.7794366 | 0.3359397 | 0.0000000 | 131.7794366 | ||||||
| cm-1 | 9870.8 | 8526.9 | 1343.9 | ||||||||
| eV | -3576.759 | 1.224 | -3575.536 | -3585.901 | 1.057 | -3584.844 | 9.141 | 0.167 | 9.308 | 0.000 | 3585.901 |