| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
| 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 | -2581.0005139 | -2581.3395355 | 0.3390216 | 0.0000000 | 2581.3395355 | ||||||
| cm-1 | 145.6 | 274.2 | -128.6 | ||||||||
| eV | -70232.596 | 0.018 | -70232.578 | -70241.821 | 0.034 | -70241.787 | 9.225 | -0.016 | 9.209 | 0.000 | 70241.821 |