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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 | -106.7465906 | -107.1513506 | 0.4047600 | 0.0000000 | 107.1513506 | ||||||
| cm-1 | 124.5 | 423.7 | -299.2 | ||||||||
| eV | -2904.722 | 0.015 | -2904.707 | -2915.737 | 0.053 | -2915.684 | 11.014 | -0.037 | 10.977 | 0.000 | 2915.737 |