| |
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 | -2549.0112434 | -2549.4221587 | 0.4109153 | 0.0000000 | 2549.4221587 | ||||||
| cm-1 | 997.7 | 1141.4 | -143.7 | ||||||||
| eV | -69362.123 | 0.124 | -69362.000 | -69373.305 | 0.142 | -69373.163 | 11.182 | -0.018 | 11.164 | 0.000 | 69373.305 |