Equilibrium geometries of 6-AIH+ (cc-pVDZ)

This dataset contains four XYZ files corresponding to the equilibrium geometries of 6-AIH+ molecule calculated in the ground-state S0, and also in the three next excited state surfaces, S1, S2 and S3. The molecular geometries were optimized using the MP2/cc-pVDZ method for the ground-state surface and with RI-ADC(2)/cc-pVDZ method in the case of excited-state surfaces.