| |
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 | -92.0910035 | -92.6480869 | 0.5570834 | 0.0000000 | 92.6480869 | ||||||
| cm-1 | 970.9 | 1000.7 | -29.7 | ||||||||
| eV | -2505.924 | 0.120 | -2505.803 | -2521.083 | 0.124 | -2520.959 | 15.159 | -0.004 | 15.155 | 0.000 | 2521.083 |