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Add hydrogen chloride CC3 supporting
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parent
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pV5Z(Full).dat
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pV5Z(Full).dat
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,aug-cc-pV5Z(Full)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.87 _ _ false
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ(FC).dat
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ(FC).dat
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,aug-cc-pVDZ(FC)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.82 _ _ false
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ(FC).dat
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ(FC).dat
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,aug-cc-pVQZ(FC)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.89 _ _ false
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ(Full).dat
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ(Full).dat
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,aug-cc-pVQZ(Full)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.87 _ _ false
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ(FC).dat
Normal file
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static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ(FC).dat
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@ -0,0 +1,11 @@
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,aug-cc-pVTZ(FC)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.84 _ _ false
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,d-aug-cc-pV5Z(Full)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.87 _ _ false
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static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ(FC).dat
Normal file
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static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ(FC).dat
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,d-aug-cc-pVQZ(FC)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.88 _ _ false
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@ -0,0 +1,11 @@
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,d-aug-cc-pVQZ(Full)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.87 _ _ false
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static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ(FC).dat
Normal file
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static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ(FC).dat
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@ -0,0 +1,11 @@
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,d-aug-cc-pVTZ(FC)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.83 _ _ false
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static/data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ(FC).dat
Normal file
11
static/data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ(FC).dat
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@ -0,0 +1,11 @@
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,t-aug-cc-pVQZ(FC)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.88 _ _ false
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@ -0,0 +1,11 @@
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# Molecule : Hydrogen chloride
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# Comment :
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# code :
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# method : CC3,t-aug-cc-pVQZ(Full)
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 \Pi (\mathrm{CT}) 7.87 _ _ false
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