# Molecule : Acetylene
# Comment  : Fluorescence energies of the acetylene molecule
# code     : MRCC
# method   : exFCI,aug-cc-pVTZ
# geom     : 
# DOI      : 10.1021/acs.jctc.8b00406

# Initial state            Final state               Energies (eV)
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# Number  Spin  Symm       Number  Spin  Symm         E_fluo
  1       1      A_1       1       1     A_u          3.64
  1       1      A_1       1       1     A_2          3.85