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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 | -106.4355664 | -106.8030853 | 0.3675189 | 0.0000000 | 106.8030853 | ||||||
| cm-1 | 172.3 | 507.3 | -335.0 | ||||||||
| eV | -2896.259 | 0.021 | -2896.238 | -2906.260 | 0.063 | -2906.197 | 10.001 | -0.042 | 9.959 | 0.000 | 2906.260 |