| |
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 | -49.0665334 | -49.3792814 | 0.3127480 | 0.0000000 | 49.3792814 | ||||||
| cm-1 | 196.0 | 487.5 | -291.5 | ||||||||
| eV | -1335.168 | 0.024 | -1335.144 | -1343.679 | 0.060 | -1343.618 | 8.510 | -0.036 | 8.474 | 0.000 | 1343.679 |