| |
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 | -2571.9086683 | -2572.3414756 | 0.4328073 | 0.0000000 | 2572.3414756 | ||||||
| cm-1 | 1182.5 | 1295.9 | -113.4 | ||||||||
| eV | -69985.194 | 0.147 | -69985.047 | -69996.971 | 0.161 | -69996.811 | 11.777 | -0.014 | 11.763 | 0.000 | 69996.971 |