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QUESTDB_website/static/data/fluo/cyanoacetylene_CCSDT_aug-cc-pVDZ.dat

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# Molecule : Cyanoacetylene
# Comment :
# code :
2020-02-04 13:59:37 +01:00
# method : CCSDT,aug-cc-pVDZ
# geom :
# DOI :
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_fluo %T1 f is unsafe
1 1 A_1 1 1 A'' _ 3.62 _ _ false