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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 | -496.4544965 | -496.8526358 | 0.3981392 | 0.0000000 | 496.8526358 | ||||||
| cm-1 | 7358.5 | 8056.8 | -698.3 | ||||||||
| eV | -13509.214 | 0.912 | -13508.302 | -13520.048 | 0.999 | -13519.049 | 10.834 | -0.087 | 10.747 | 0.000 | 13520.048 |