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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 | -75.2470316 | -75.7177283 | 0.4706966 | 0.0000000 | 75.7177283 | ||||||
| cm-1 | 1448.7 | 1761.1 | -312.4 | ||||||||
| eV | -2047.576 | 0.180 | -2047.396 | -2060.384 | 0.218 | -2060.166 | 12.808 | -0.039 | 12.770 | 0.000 | 2060.384 |