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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 | -1043.6161627 | -1043.8741798 | 0.2580171 | 0.0000000 | 1043.8741798 | ||||||
| cm-1 | 895.1 | 910.2 | -15.0 | ||||||||
| eV | -28398.240 | 0.111 | -28398.129 | -28405.261 | 0.113 | -28405.148 | 7.021 | -0.002 | 7.019 | 0.000 | 28405.261 |