![]() |
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 | -298.8092182 | -299.0935155 | 0.2842973 | -298.8072769 | 0.2862386 | ||||||
cm-1 | 387.9 | 329.0 | 58.9 | ||||||||
eV | -8131.012 | 0.048 | -8130.964 | -8138.748 | 0.041 | -8138.708 | 7.736 | 0.007 | 7.743 | -8130.960 | 7.789 |