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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 | -261.6027664 | -261.9592435 | 0.3564771 | 0.0000000 | 261.9592435 | ||||||
| cm-1 | 79.1 | 278.5 | -199.4 | ||||||||
| eV | -7118.573 | 0.010 | -7118.563 | -7128.274 | 0.035 | -7128.239 | 9.700 | -0.025 | 9.676 | 0.000 | 7128.274 |