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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 | -118.0639079 | -117.7606852 | -0.3032228 | 0.0000000 | 117.7606852 | ||||||
| cm-1 | 18607.4 | 16810.6 | 1796.9 | ||||||||
| eV | -3212.682 | 2.307 | -3210.375 | -3204.431 | 2.084 | -3202.347 | -8.251 | 0.223 | -8.028 | 0.000 | 3204.431 |