Final energy of geometry optimized structures.
Compound | Gas phase energy (eV) |
---|---|
6a | −1641.166335 |
6b | −1716.392044 |
6c | −1716.389529 |
6d | −1680.487182 |
6e | −1775.142601 |
6f | −1755.69537 |
6g | −1870.2175 |
6h | −1984.736796 |
6i | −2560.346418 |
6j | −2560.348556 |