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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 | -1187.7306919 | -1188.0854818 | 0.3547899 | 0.0000000 | 1188.0854818 | ||||||
| cm-1 | 492.7 | 548.4 | -55.7 | ||||||||
| eV | -32319.796 | 0.061 | -32319.735 | -32329.450 | 0.068 | -32329.382 | 9.654 | -0.007 | 9.647 | 0.000 | 32329.450 |