QUESTDB_website/static/data/abs/aza-naphthalene_ADC(2)_aug-cc-pVTZ.dat

# Molecule : Aza-naphthalene
# Comment  : 
# code     : 
# method   : ADC(2),aug-cc-pVTZ
# geom     : CC3/cc-pVTZ
# set      : QUEST#5,0

# 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_{3g}       (\mathrm{V};n \rightarrow \pi^\star)    3.05          _              _            false
  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.41          _              _            false
  1       1     A_g        1       1     B_{1u}       (\mathrm{V};n \rightarrow \pi^\star)    4.36          _              _            false
  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.46          _              _            false
  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.87          _              _            false
  1       1     A_g        2       1     B_{1u}       (\mathrm{V};n \rightarrow \pi^\star)    5.11          _              _            true
  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.48          _              _            false
  1       1     A_g        1       1     B_{3u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            true
  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.96          _              _            false
  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.84          _              _            false
  1       1     A_g        3       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.07          _              _            false
  1       1     A_g        1       3     B_{3g}       (\mathrm{V};n \rightarrow \pi^\star)    2.76          _              _            true
  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  3.84          _              _            true
  1       1     A_g        1       3     B_{3u}       (\mathrm{V};\pi \rightarrow \pi^\star)  3.97          _              _            true
  1       1     A_g        1       3     B_{1u}       (\mathrm{V};n \rightarrow \pi^\star)    3.79          _              _            true
  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.34          _              _            true
  1       1     A_g        2       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            true
  1       1     A_g        2       3     B_{3u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.98          _              _            true
  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.93          _              _            true