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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 | -2399.3406818 | -2399.6950661 | 0.3543843 | 0.0000000 | 2399.6950661 | ||||||
| cm-1 | 1150.6 | 1206.2 | -55.6 | ||||||||
| eV | -65289.380 | 0.143 | -65289.238 | -65299.024 | 0.150 | -65298.874 | 9.643 | -0.007 | 9.636 | 0.000 | 65299.024 |