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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 | -55.1738439 | -55.4889932 | 0.3151493 | 0.0000000 | 55.4889932 | ||||||
| cm-1 | 6394.7 | 7049.9 | -655.2 | ||||||||
| eV | -1501.357 | 0.793 | -1500.564 | -1509.932 | 0.874 | -1509.058 | 8.576 | -0.081 | 8.494 | 0.000 | 1509.932 |