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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 | -127.6910219 | -128.0170859 | 0.3260640 | 0.0000000 | 128.0170859 | ||||||
| cm-1 | 855.3 | 803.4 | 51.9 | ||||||||
| eV | -3474.649 | 0.106 | -3474.543 | -3483.522 | 0.100 | -3483.422 | 8.873 | 0.006 | 8.879 | 0.000 | 3483.522 |