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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 | -497.5257588 | -497.8931354 | 0.3673766 | 0.0000000 | 497.8931354 | ||||||
| cm-1 | 510.5 | 417.8 | 92.7 | ||||||||
| eV | -13538.364 | 0.063 | -13538.301 | -13548.361 | 0.052 | -13548.309 | 9.997 | 0.011 | 10.008 | 0.000 | 13548.361 |