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	hartrees
Energy at 0K	-227.774420
Energy at 298.15K
HF Energy	-227.495113
Nuclear repulsion energy	102.065156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	2982	2982	0.00	248.23	0.25	0.40
2	A_g	1783	1783	0.00	53.15	0.43	0.60
3	A_g	1386	1386	0.00	9.85	0.30	0.46
4	A_g	1085	1085	0.00	8.84	0.68	0.81
5	A_g	557	557	0.00	4.38	0.20	0.33
6	A_u	822	822	1.76	0.00	0.00	0.00
7	A_u	125	125	35.24	0.00	0.00	0.00
8	B_g	1083	1083	0.00	4.28	0.75	0.86
9	B_u	2979	2979	113.06	0.00	0.27	0.43
10	B_u	1773	1773	179.47	0.00	0.44	0.61
11	B_u	1347	1347	6.89	0.00	0.00	0.00
12	B_u	339	339	51.81	0.00	0.00	0.00

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for C2H2O2 (Ethanedial)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)