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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 | -2660.2962945 | -2660.5527034 | 0.2564090 | 0.0000000 | 2660.5527034 | ||||||
| cm-1 | 259.4 | 325.5 | -66.1 | ||||||||
| eV | -72390.344 | 0.032 | -72390.311 | -72397.321 | 0.040 | -72397.281 | 6.977 | -0.008 | 6.969 | 0.000 | 72397.321 |