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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 | -2127.1153869 | -2127.4126427 | 0.2972558 | 0.0000000 | 2127.4126427 | ||||||
| cm-1 | 503.1 | 532.9 | -29.8 | ||||||||
| eV | -57881.753 | 0.062 | -57881.691 | -57889.842 | 0.066 | -57889.776 | 8.089 | -0.004 | 8.085 | 0.000 | 57889.842 |