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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 | -421.9420604 | -422.3433961 | 0.4013357 | 0.0000000 | 422.3433961 | ||||||
| cm-1 | 552.9 | 562.7 | -9.7 | ||||||||
| eV | -11481.627 | 0.069 | -11481.559 | -11492.548 | 0.070 | -11492.479 | 10.921 | -0.001 | 10.920 | 0.000 | 11492.548 |