| |
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 | -326.2354819 | -326.6419276 | 0.4064457 | 0.0000000 | 326.6419276 | ||||||
| cm-1 | 340.9 | 373.0 | -32.1 | ||||||||
| eV | -8877.319 | 0.042 | -8877.277 | -8888.379 | 0.046 | -8888.333 | 11.060 | -0.004 | 11.056 | 0.000 | 8888.379 |