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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 | -74.6314363 | -75.0572452 | 0.4258089 | 0.0000000 | 75.0572452 | ||||||
| cm-1 | 1347.4 | 1612.7 | -265.3 | ||||||||
| eV | -2030.825 | 0.167 | -2030.658 | -2042.412 | 0.200 | -2042.212 | 11.587 | -0.033 | 11.554 | 0.000 | 2042.412 |