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Fix spaces and Cie on Water exp
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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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####################### ####################### ############
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# Spin Number Symm Spin Number Symm E_abs
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1 1 A_1 1 1 B_1 7.41
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1 1 A_1 1 1 A_2 9.20
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