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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 | -118.0939465 | -117.7935090 | -0.3004374 | 0.0000000 | 117.7935090 | ||||||
| cm-1 | 18583.2 | 16800.1 | 1783.2 | ||||||||
| eV | -3213.500 | 2.304 | -3211.196 | -3205.324 | 2.083 | -3203.241 | -8.175 | 0.221 | -7.954 | 0.000 | 3205.324 |