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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 | -421.9745936 | -422.3794555 | 0.4048619 | 0.0000000 | 422.3794555 | ||||||
| cm-1 | 557.0 | 564.4 | -7.4 | ||||||||
| eV | -11482.513 | 0.069 | -11482.444 | -11493.529 | 0.070 | -11493.460 | 11.017 | -0.001 | 11.016 | 0.000 | 11493.529 |