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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 | -2572.5783099 | -2572.9738050 | 0.3954951 | 0.0000000 | 2572.9738050 | ||||||
| cm-1 | 1180.8 | 1275.9 | -95.2 | ||||||||
| eV | -70003.416 | 0.146 | -70003.270 | -70014.178 | 0.158 | -70014.020 | 10.762 | -0.012 | 10.750 | 0.000 | 70014.178 |