# Molecule : Water
# Comment  : Absorption energies of the water molecule from experimental datas
# code     : experimental
# method   : experimental
# geom     : experimental
# DOI      : 10.1021/acs.jctc.8b00406

# Initial state            Final state             Energies (eV)
#######################  #######################   ############
# Spin  Number  Symm       Spin  Number  Symm        E_abs
  1     1       A_1        1     1       B_1         7.41
  1     1       A_1        1     1       A_2         9.20
  1     1       A_1        1     2       A_1         9.67 
  1     1       A_1        1     3       B_1         7.20
  1     1       A_1        3     1       A_2         8.90
  1     1       A_1        3     1       A_1         9.46