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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 | -40.0631580 | -40.5261652 | 0.4630072 | 0.0000000 | 40.5261652 | ||||||
| cm-1 | 7741.6 | 9514.5 | -1772.9 | ||||||||
| eV | -1090.174 | 0.960 | -1089.214 | -1102.773 | 1.180 | -1101.593 | 12.599 | -0.220 | 12.379 | 0.000 | 1102.773 |