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19 lines
1.6 KiB
Plaintext
19 lines
1.6 KiB
Plaintext
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# Molecule : Glyoxal
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# Comment :
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# code :
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# method : Th.$^b$,Litt.
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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 A_u (n \rightarrow \pi^\star) 3.10 _ _ false
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1 1 A_1 1 1 B_g (n \rightarrow \pi^\star) 4.68 _ _ false
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1 1 A_1 1 1 A_g (n,n \rightarrow \pi^\star,\pi^\star) 5.66 _ _ false
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1 1 A_1 2 1 B_g (n \rightarrow \pi^\star) 7.54 _ _ false
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1 1 A_1 1 1 B_u (n \rightarrow 3p) 7.83 _ _ false
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1 1 A_1 1 3 A_u (n \rightarrow \pi^\star) 2.63 _ _ false
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1 1 A_1 1 3 B_g (n \rightarrow \pi^\star) 4.12 _ _ false
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1 1 A_1 1 3 B_u (\pi \rightarrow \pi^\star) 5.35 _ _ false
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