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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 | -106.6895266 | -107.0582826 | 0.3687560 | 0.0000000 | 107.0582826 | ||||||
| cm-1 | 133.8 | 457.4 | -323.7 | ||||||||
| eV | -2903.170 | 0.017 | -2903.153 | -2913.204 | 0.057 | -2913.147 | 10.034 | -0.040 | 9.994 | 0.000 | 2913.204 |