# Molecule : Pyridine
# Comment  : 
# code     : CFOUR
# method   : CC3,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_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.96          88.4           0.004        false
  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.17          86.5           0.028        false
  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.40          87.9           _            false
  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.63          92.1           0.010        false
  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           6.76          89.7           0.011        false
  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         6.81          93.2           _            false
  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.38          93.6           0.045        false
  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.39          90.5           0.291        false
  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.38          90.0           0.319        true
  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.33          98.5           _            false
  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.46          97.0           _            false
  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.79          97.3           _            false
  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.05          97.1           _            false
  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.35          95.8           _            false
  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.25          97.7           _            false
