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Merge branch 'master' into ADC
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commit
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# Molecule : Cyclopropenone
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# Comment :
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# code :
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# code : CFOUR
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# method : CC3,aug-cc-pVDZ
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# geom :
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# DOI :
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.9b01216
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Molecule : Cyclopropenone
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# Comment :
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# code :
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# code : CFOUR
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# method : CCSDT,aug-cc-pVDZ
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# geom :
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# DOI :
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.9b01216
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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@ -1,9 +1,9 @@
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# Molecule : Cyclopropenone
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# Comment :
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# code :
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# method : CCSDT,aug-cc-pVTZ
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# geom :
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# DOI :
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# code : CFOUR
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# method : CCSDT,aug-cc-pVDZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.9b01216
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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