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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 | -2617.0162229 | -2617.3125995 | 0.2963766 | 0.0000000 | 2617.3125995 | ||||||
| cm-1 | 2433.2 | 2530.6 | -97.4 | ||||||||
| eV | -71212.633 | 0.302 | -71212.331 | -71220.698 | 0.314 | -71220.384 | 8.065 | -0.012 | 8.053 | 0.000 | 71220.698 |