| |
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 | -957.8258513 | -958.1564206 | 0.3305693 | 0.0000000 | 958.1564206 | ||||||
| cm-1 | 1118.3 | 866.6 | 251.7 | ||||||||
| eV | -26063.767 | 0.139 | -26063.628 | -26072.762 | 0.107 | -26072.655 | 8.995 | 0.031 | 9.026 | 0.000 | 26072.762 |