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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 | -77.6564700 | -78.0292706 | 0.3728005 | 0.0000000 | 78.0292706 | ||||||
| cm-1 | 10377.9 | 10873.4 | -495.4 | ||||||||
| eV | -2113.140 | 1.287 | -2111.853 | -2123.284 | 1.348 | -2121.936 | 10.144 | -0.061 | 10.083 | 0.000 | 2123.284 |