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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 | -1192.6240621 | -1192.9643460 | 0.3402839 | 0.0000000 | 1192.9643460 | ||||||
| cm-1 | 611.3 | 706.5 | -95.1 | ||||||||
| eV | -32452.951 | 0.076 | -32452.875 | -32462.211 | 0.088 | -32462.123 | 9.260 | -0.012 | 9.248 | 0.000 | 32462.211 |