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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 | -2151.8710542 | -2152.2719393 | 0.4008852 | 0.0000000 | 2152.2719393 | ||||||
| cm-1 | 430.3 | 501.2 | -70.9 | ||||||||
| eV | -58555.389 | 0.053 | -58555.336 | -58566.298 | 0.062 | -58566.236 | 10.909 | -0.009 | 10.900 | 0.000 | 58566.298 |