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14 lines
583 B
Plaintext
14 lines
583 B
Plaintext
# Molecule : Thioformaldehyde
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# Comment : Absorption energies of the thioformaldehyde molecule
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# code : experimental
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# method : experimental
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# geom : experimental
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Number Spin Symm Number Spin Symm E_abs
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1 1 A_1 1 1 B_2 5.85
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1 1 A_1 2 1 A_1 6.2
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1 1 A_1 1 3 A_1 3.28
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