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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 | -256.1140586 | -256.8079490 | 0.6938904 | 0.0000000 | 256.8079490 | ||||||
| cm-1 | 199.3 | 71.9 | 127.4 | ||||||||
| eV | -6969.218 | 0.025 | -6969.193 | -6988.100 | 0.009 | -6988.091 | 18.882 | 0.016 | 18.898 | 0.000 | 6988.100 |