| |
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 | -127.6836998 | -128.0211538 | 0.3374540 | 0.0000000 | 128.0211538 | ||||||
| cm-1 | 915.0 | 846.7 | 68.3 | ||||||||
| eV | -3474.450 | 0.113 | -3474.337 | -3483.633 | 0.105 | -3483.528 | 9.183 | 0.008 | 9.191 | 0.000 | 3483.633 |