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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 | -4803.0847284 | -4803.4230620 | 0.3383337 | 0.0000000 | 4803.4230620 | ||||||
| cm-1 | 219.5 | 192.9 | 26.6 | ||||||||
| eV | -130698.582 | 0.027 | -130698.555 | -130707.789 | 0.024 | -130707.765 | 9.207 | 0.003 | 9.210 | 0.000 | 130707.789 |