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QUESTDB_website/static/data/abs/diacetylene_CCSDTQ_aug-cc-pVDZ.dat
2020-02-17 11:28:57 +01:00

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# Molecule : Diacetylene
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# DOI :
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
1 1 A_1 1 1 \Sigma_u^- _ 5.43 _ _ false
1 1 A_1 1 1 \Delta_u _ 5.69 _ _ false