# Molecule : Pyrazine
# Comment  : 
# code     : Dalton
# method   : CCSD,aug-cc-pVTZ
# geom     : CC3,aug-cc-pVTZ
# set      : QUEST#3,0

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
#######################  #######################  ########################################  ############# ####### ##################### #############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.32          _              _            false
  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.23          _              _            false
  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.15          _              _            false
  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.83          _              _            false
  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.14          _              _            false
  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.96          _              _            false
  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3s)         7.26          _              _            false
  1       1     A_g        2       1     B_{2u}       (\mathrm{R};n \rightarrow 3p)           7.44          _              _            false
  1       1     A_g        2       1     B_{1u}       (\mathrm{R};n \rightarrow 3p)           7.60          _              _            false
  1       1     A_g        3       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  8.20          _              _            true
  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.70          _              _            false
  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.19          _              _            false
  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.40          _              _            false
  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.16          _              _            false
  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.21          _              _            false
  1       1     A_g        2       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false