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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 | -497.3574232 | -497.7183680 | 0.3609449 | 0.0000000 | 497.7183680 | ||||||
| cm-1 | 500.7 | 422.4 | 78.3 | ||||||||
| eV | -13533.784 | 0.062 | -13533.722 | -13543.606 | 0.052 | -13543.553 | 9.822 | 0.010 | 9.832 | 0.000 | 13543.606 |