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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 | -92.4700207 | -92.9102293 | 0.4402086 | -92.4622008 | 0.4480285 | ||||||
| cm-1 | 3219.3 | 3538.8 | -319.5 | ||||||||
| eV | -2516.237 | 0.399 | -2515.838 | -2528.216 | 0.439 | -2527.777 | 11.979 | -0.040 | 11.939 | -2516.024 | 12.191 |