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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 | -154.1427157 | -154.3899271 | 0.2472114 | 0.0000000 | 154.3899271 | ||||||
| cm-1 | 14457.3 | 13927.5 | 529.8 | ||||||||
| eV | -4194.437 | 1.792 | -4192.644 | -4201.164 | 1.727 | -4199.437 | 6.727 | 0.066 | 6.793 | 0.000 | 4201.164 |