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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 | -2150.2249502 | -2150.6257685 | 0.4008183 | 0.0000000 | 2150.6257685 | ||||||
| cm-1 | 401.3 | 515.4 | -114.1 | ||||||||
| eV | -58510.597 | 0.050 | -58510.547 | -58521.503 | 0.064 | -58521.439 | 10.907 | -0.014 | 10.893 | 0.000 | 58521.503 |