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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 | -92.1283751 | -92.6852402 | 0.5568651 | 0.0000000 | 92.6852402 | ||||||
| cm-1 | 1001.0 | 1038.4 | -37.4 | ||||||||
| eV | -2506.941 | 0.124 | -2506.816 | -2522.094 | 0.129 | -2521.965 | 15.153 | -0.005 | 15.148 | 0.000 | 2522.094 |