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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 | -1192.6824218 | -1193.0151870 | 0.3327652 | 0.0000000 | 1193.0151870 | ||||||
| cm-1 | 630.3 | 714.3 | -84.1 | ||||||||
| eV | -32454.539 | 0.078 | -32454.461 | -32463.594 | 0.089 | -32463.506 | 9.055 | -0.010 | 9.045 | 0.000 | 32463.594 |