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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 | -290.7462249 | -291.0472139 | 0.3009890 | 0.0000000 | 291.0472139 | ||||||
| cm-1 | 4666.4 | 4461.7 | 204.7 | ||||||||
| eV | -7911.607 | 0.579 | -7911.029 | -7919.797 | 0.553 | -7919.244 | 8.190 | 0.025 | 8.216 | 0.000 | 7919.797 |