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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 | -106.6947160 | -107.0572111 | 0.3624951 | 0.0000000 | 107.0572111 | ||||||
| cm-1 | 136.4 | 462.0 | -325.6 | ||||||||
| eV | -2903.311 | 0.017 | -2903.294 | -2913.175 | 0.057 | -2913.118 | 9.864 | -0.040 | 9.824 | 0.000 | 2913.175 |