2019-12-17 14:05:42 +01:00
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# Molecule : Carbon monoxide
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# Comment :
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# code :
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2020-03-20 10:32:24 +01:00
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# method : experimental,CBS
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2020-01-10 16:16:39 +01:00
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# geom : CC3,aug-cc-pVTZ
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2020-09-20 17:53:58 +02:00
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# set : QUEST#1,0
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2019-12-17 14:05:42 +01:00
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2020-10-08 18:36:03 +02:00
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# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe
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####################### ####################### ######################################## ############# ####### ##################### #############
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2019-12-17 14:05:42 +01:00
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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2020-05-27 10:00:13 +02:00
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1 1 \Sigma^+ 1 1 \Pi (n \rightarrow \pi^\star) 8.51 _ _ false
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1 1 \Sigma^+ 1 1 \Sigma^- (\pi \rightarrow \pi^\star) 9.88 _ _ false
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1 1 \Sigma^+ 1 1 \Delta (\pi \rightarrow \pi^\star) 10.23 _ _ false
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2020-10-16 17:34:32 +02:00
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1 1 \Sigma^+ 2 1 \Sigma^+ (\mathrm{R};\pi \rightarrow 3p) 10.78 _ _ false
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1 1 \Sigma^+ 3 1 \Sigma^+ (\mathrm{R};\pi \rightarrow 3p) 11.40 _ _ false
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1 1 \Sigma^+ 2 1 \Pi (\mathrm{R};\pi \rightarrow 3p) 11.53 _ _ false
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2020-05-27 10:00:13 +02:00
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1 1 \Sigma^+ 1 3 \Pi (n \rightarrow \pi^\star) 6.32 _ _ false
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1 1 \Sigma^+ 1 3 \Sigma^+ (\pi \rightarrow \pi^\star) 8.51 _ _ false
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1 1 \Sigma^+ 1 3 \Delta (\pi \rightarrow \pi^\star) 9.36 _ _ false
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1 1 \Sigma^+ 1 3 \Sigma^- (\pi \rightarrow \pi^\star) 9.88 _ _ false
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2020-10-16 17:34:32 +02:00
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1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R};\pi \rightarrow 3p) 10.4 _ _ false
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