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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 | -290.7525863 | -291.0532017 | 0.3006154 | 0.0000000 | 291.0532017 | ||||||
| cm-1 | 4625.4 | 4450.2 | 175.2 | ||||||||
| eV | -7911.780 | 0.573 | -7911.207 | -7919.960 | 0.552 | -7919.409 | 8.180 | 0.022 | 8.202 | 0.000 | 7919.960 |