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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 | -118.0721535 | -117.7737315 | -0.2984220 | 0.0000000 | 117.7737315 | ||||||
| cm-1 | 18541.1 | 16790.0 | 1751.0 | ||||||||
| eV | -3212.907 | 2.299 | -3210.608 | -3204.786 | 2.082 | -3202.705 | -8.120 | 0.217 | -7.903 | 0.000 | 3204.786 |