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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 | -319.4086760 | -319.7970912 | 0.3884153 | 0.0000000 | 319.7970912 | ||||||
| cm-1 | 1991.9 | 2507.6 | -515.6 | ||||||||
| eV | -8691.552 | 0.247 | -8691.305 | -8702.121 | 0.311 | -8701.811 | 10.569 | -0.064 | 10.505 | 0.000 | 8702.121 |