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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 | -38.6696523 | -39.0422012 | 0.3725489 | 0.0000000 | 39.0422012 | ||||||
| cm-1 | 3645.7 | 3812.0 | -166.2 | ||||||||
| eV | -1052.255 | 0.452 | -1051.803 | -1062.392 | 0.473 | -1061.920 | 10.138 | -0.021 | 10.117 | 0.000 | 1062.392 |