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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 | -113.9173095 | -114.3081611 | 0.3908515 | 0.0000000 | 114.3081611 | ||||||
| cm-1 | 5121.7 | 5642.8 | -521.1 | ||||||||
| eV | -3099.848 | 0.635 | -3099.213 | -3110.483 | 0.700 | -3109.784 | 10.636 | -0.065 | 10.571 | 0.000 | 3110.483 |