# Molecule : Benzene
# Comment  : 
# code     : CFOUR
# method   : CCSDT,aug-cc-pVDZ
# geom     : CC3,aug-cc-pVTZ 
# DOI      : 10.1021/acs.jctc.9b01216

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
#######################  #######################  ########################################  ############# ####### ################### ##############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     A_{1g}     1       1     B_{2u}       (\pi \rightarrow \pi^\star)             5.08          _              _            false
  1       1     A_{1g}     1       1     B_{1u}       (\pi \rightarrow \pi^\star)             6.50          _              _            false
  1       1     A_{1g}     1       1     E_{1g}       (\pi \rightarrow 3s)                    6.46          _              _            false
  1       1     A_{1g}     1       1     A_{2u}       (\pi \rightarrow 3p)                    7.02          _              _            false
  1       1     A_{1g}     1       1     E_{2u}       (\pi \rightarrow 3p)                    7.09          _              _            false
  1       1     A_{1g}     1       3     B_{1u}       (\pi \rightarrow \pi^\star)             4.17          _              _            false
  1       1     A_{1g}     1       3     E_{1u}       (\pi \rightarrow \pi^\star)             4.88          _              _            false
  1       1     A_{1g}     1       3     B_{2u}       (\pi \rightarrow \pi^\star)             5.86          _              _            false
