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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 | -91.8755491 | -92.3611787 | 0.4856296 | 0.0000000 | 92.3611787 | ||||||
| cm-1 | 892.6 | 972.6 | -80.0 | ||||||||
| eV | -2500.061 | 0.111 | -2499.950 | -2513.275 | 0.121 | -2513.155 | 13.215 | -0.010 | 13.205 | 0.000 | 2513.275 |