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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 | -118.1989179 | -117.8966526 | -0.3022653 | 0.0000000 | 117.8966526 | ||||||
| cm-1 | 18574.0 | 16783.6 | 1790.3 | ||||||||
| eV | -3216.356 | 2.303 | -3214.053 | -3208.131 | 2.081 | -3206.050 | -8.225 | 0.222 | -8.003 | 0.000 | 3208.131 |