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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 | -79.3124527 | -79.7281512 | 0.4156985 | 0.0000000 | 79.7281512 | ||||||
| cm-1 | 13453.8 | 15749.9 | -2296.2 | ||||||||
| eV | -2158.202 | 1.668 | -2156.534 | -2169.513 | 1.953 | -2167.561 | 11.312 | -0.285 | 11.027 | 0.000 | 2169.513 |