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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 | -49.0531590 | -49.3893096 | 0.3361506 | 0.0000000 | 49.3893096 | ||||||
| cm-1 | 196.0 | 488.1 | -292.1 | ||||||||
| eV | -1334.804 | 0.024 | -1334.780 | -1343.951 | 0.061 | -1343.891 | 9.147 | -0.036 | 9.111 | 0.000 | 1343.951 |