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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 | -129.2425865 | -129.5589003 | 0.3163138 | -129.2367639 | 0.3221364 | ||||||
| cm-1 | 996.8 | 1845.1 | -848.3 | ||||||||
| eV | -3516.870 | 0.124 | -3516.746 | -3525.477 | 0.229 | -3525.248 | 8.607 | -0.105 | 8.502 | -3516.711 | 8.766 |