# Molecule : Triazine
# Comment  : 
# code     : 
# method   : TBE,CBS
# 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_1        1       1     A_1^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star)   4.72          88.3           _            false
  1       1     A_1        1       1     A_2^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star)   4.74          88.3           0.014        false
  1       1     A_1        1       1     E^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star)   4.78          88.3           _            false
  1       1     A_1        1       1     A_2^\prime   (\mathrm{V}; \pi \rightarrow \pi^\star) 5.75          85.7           _            false
  1       1     A_1        1       1     A_1^\prime   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.23          90.4           _            false
  1       1     A_1        1       1     E^\prime     (\mathrm{R}; n \rightarrow 3s)          7.36          90.9           0.016        false
  1       1     A_1        2       1     E^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star)   7.76          82.6           _            false
  1       1     A_1        2       1     E^\prime     (\mathrm{V}; \pi \rightarrow \pi^\star) 7.93          90.0           0.451        false
  1       1     A_1        1       3     A_2^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star)   4.34          96.7           _            false
  1       1     A_1        1       3     E^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star)   4.51          96.6           _            false
  1       1     A_1        1       3     A_1^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star)   4.74          96.2           _            false
  1       1     A_1        1       3     A_1^\prime   (\mathrm{V}; \pi \rightarrow \pi^\star) 4.86          98.2           _            false
  1       1     A_1        1       3     E^\prime     (\mathrm{V}; \pi \rightarrow \pi^\star) 5.59          96.9           _            false
  1       1     A_1        1       3     A_2^\prime   (\mathrm{V}; (\pi \rightarrow \pi^\star) 6.61          97.6           _            false
