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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 | -56.1930829 | -56.5623831 | 0.3693002 | 0.0000000 | 56.5623831 | ||||||
| cm-1 | 6926.1 | 7254.5 | -328.4 | ||||||||
| eV | -1529.092 | 0.859 | -1528.233 | -1539.141 | 0.899 | -1538.241 | 10.049 | -0.041 | 10.008 | 0.000 | 1539.141 |