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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 | -112.7349240 | -113.2480700 | 0.5131460 | 0.0000000 | 113.2480700 | ||||||
| cm-1 | 1093.0 | 1103.7 | -10.7 | ||||||||
| eV | -3067.673 | 0.136 | -3067.538 | -3081.637 | 0.137 | -3081.500 | 13.963 | -0.001 | 13.962 | 0.000 | 3081.637 |