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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 | -760.8741388 | -761.0234569 | 0.1493180 | 0.0000000 | 761.0234569 | ||||||
| cm-1 | 39.1 | 51.0 | -11.8 | ||||||||
| eV | -20704.438 | 0.005 | -20704.433 | -20708.501 | 0.006 | -20708.495 | 4.063 | -0.001 | 4.062 | 0.000 | 20708.501 |