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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 | -682.7323651 | -683.0979292 | 0.3655641 | 0.0000000 | 683.0979292 | ||||||
| cm-1 | 280.3 | 323.4 | -43.2 | ||||||||
| eV | -18578.092 | 0.035 | -18578.058 | -18588.040 | 0.040 | -18588.000 | 9.948 | -0.005 | 9.942 | 0.000 | 18588.040 |