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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 | -77.6629970 | -78.0403945 | 0.3773975 | 0.0000000 | 78.0403945 | ||||||
| cm-1 | 10324.7 | 10923.1 | -598.4 | ||||||||
| eV | -2113.318 | 1.280 | -2112.038 | -2123.587 | 1.354 | -2122.233 | 10.270 | -0.074 | 10.195 | 0.000 | 2123.587 |