QUESTDB_website/static/data/abs/aza-naphthalene_ADC(3)_aug-cc-pVTZ.dat

# Molecule : Aza-naphthalene
# Comment  : 
# code     : 
# method   : ADC(3),aug-cc-pVTZ
# geom     : CC3/cc-pVTZ
# set      : QUEST#5,0

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   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)    3.24          _              _            false
  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          _              _            false
  1       1     A_g        1       1     B_{1u}       (\mathrm{V};n \rightarrow \pi^\star)    4.35          _              _            false
  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.78          _              _            false
  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.16          _              _            false
  1       1     A_g        2       1     B_{1u}       (\mathrm{V};n \rightarrow \pi^\star)    5.75          _              _            true
  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.33          _              _            false
  1       1     A_g        1       1     B_{3u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            true
  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.67          _              _            false
  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    6.26          _              _            false
  1       1     A_g        1       3     B_{3g}       (\mathrm{V};n \rightarrow \pi^\star)    2.88          _              _            true
  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  3.30          _              _            true
  1       1     A_g        1       3     B_{3u}       (\mathrm{V};\pi \rightarrow \pi^\star)  3.44          _              _            true
  1       1     A_g        1       3     B_{1u}       (\mathrm{V};n \rightarrow \pi^\star)    3.71          _              _            true
  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.42          _              _            true
  1       1     A_g        2       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.96          _              _            true
  1       1     A_g        2       3     B_{3u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.44          _              _            true
  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.82          _              _            true