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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 | -497.2315238 | -497.6367330 | 0.4052092 | 0.0000000 | 497.6367330 | ||||||
| cm-1 | 6963.5 | 8077.2 | -1113.7 | ||||||||
| eV | -13530.358 | 0.863 | -13529.494 | -13541.384 | 1.001 | -13540.383 | 11.026 | -0.138 | 10.888 | 0.000 | 13541.384 |