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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 | -274.7243799 | -275.0720510 | 0.3476711 | 0.0000000 | 275.0720510 | ||||||
| cm-1 | 2600.9 | 2371.5 | 229.4 | ||||||||
| eV | -7475.631 | 0.322 | -7475.308 | -7485.091 | 0.294 | -7484.797 | 9.461 | 0.028 | 9.489 | 0.000 | 7485.091 |