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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 | -290.2629661 | -290.5907726 | 0.3278065 | 0.0000000 | 290.5907726 | ||||||
| cm-1 | 2554.9 | 2437.1 | 117.8 | ||||||||
| eV | -7898.457 | 0.317 | -7898.140 | -7907.377 | 0.302 | -7907.075 | 8.920 | 0.015 | 8.935 | 0.000 | 7907.377 |