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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 | -2372.1821653 | -2372.4919077 | 0.3097424 | 0.0000000 | 2372.4919077 | ||||||
| cm-1 | 1093.3 | 1159.3 | -66.0 | ||||||||
| eV | -64550.359 | 0.136 | -64550.224 | -64558.788 | 0.144 | -64558.644 | 8.429 | -0.008 | 8.420 | 0.000 | 64558.788 |