Rep:Mod:ASR1234
NH3 Molecule
What is the molecule?
What is the calculation method?
What is the basis set?
What is the final energy E(RB3LYP) in atomic units (au)?
What is the RMS gradient?
What is the point group of your molecule?
What is the molecule?
What is the calculation method?
What is the basis set?
What is the final energy E(RB3LYP) in atomic units (au)?
What is the RMS gradient?
What is the point group of your molecule?