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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 | -91.7493539 | -92.1346065 | 0.3852526 | 0.0000000 | 92.1346065 | ||||||
| cm-1 | 2913.9 | 3110.1 | -196.2 | ||||||||
| eV | -2496.627 | 0.361 | -2496.266 | -2507.110 | 0.386 | -2506.725 | 10.483 | -0.024 | 10.459 | 0.000 | 2507.110 |