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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 | -2355.3630089 | -2355.4910955 | 0.1280867 | 0.0000000 | 2355.4910955 | ||||||
| cm-1 | 208.2 | 191.4 | 16.9 | ||||||||
| eV | -64092.687 | 0.026 | -64092.661 | -64096.172 | 0.024 | -64096.149 | 3.485 | 0.002 | 3.488 | 0.000 | 64096.172 |