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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 | -397.9174397 | -398.2907716 | 0.3733319 | 0.0000000 | 398.2907716 | ||||||
| cm-1 | 1242.0 | 1312.5 | -70.5 | ||||||||
| eV | -10827.884 | 0.154 | -10827.730 | -10838.043 | 0.163 | -10837.880 | 10.159 | -0.009 | 10.150 | 0.000 | 10838.043 |