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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 | -1922.9616990 | -1923.2670921 | 0.3053931 | 0.0000000 | 1923.2670921 | ||||||
| cm-1 | 758.0 | 850.7 | -92.7 | ||||||||
| eV | -52326.449 | 0.094 | -52326.355 | -52334.759 | 0.105 | -52334.654 | 8.310 | -0.011 | 8.299 | 0.000 | 52334.759 |