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	hartrees
Energy at 0K	-227.444108
Energy at 298.15K
HF Energy	-226.673944
Nuclear repulsion energy	101.811927

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	3021	2850	0.00	234.26	0.24	0.38
2	A_g	1755	1655	0.00	32.78	0.44	0.61
3	A_g	1387	1309	0.00	11.65	0.26	0.42
4	A_g	1104	1042	0.00	7.37	0.57	0.73
5	A_g	560	528	0.00	4.59	0.19	0.32
6	A_u	825	778	2.27	0.00	0.00	0.00
7	A_u	130	122	34.21	0.00	0.00	0.00
8	B_g	1077	1016	0.00	3.73	0.75	0.86
9	B_u	3018	2847	95.88	0.00	0.00	0.00
10	B_u	1741	1643	130.36	0.00	0.00	0.00
11	B_u	1346	1270	6.30	0.00	0.00	0.00
12	B_u	336	317	50.25	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.329	0.683
C2	0.329	-0.683
H3	-1.431	0.674
H4	1.431	-0.674
O5	0.329	1.699
O6	-0.329	-1.699

	C1	C2	H3	H4	O5	O6
C1		1.5159	1.1022	2.2225	1.2109	2.3818
C2	1.5159		2.2225	1.1022	2.3818	1.2109
H3	1.1022	2.2225		3.1640	2.0371	2.6165
H4	2.2225	1.1022	3.1640		2.6165	2.0371
O5	1.2109	2.3818	2.0371	2.6165		3.4613
O6	2.3818	1.2109	2.6165	2.0371	3.4613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.278	C1	C2	O6	121.330
C2	C1	H3	115.278	C2	C1	O5	121.330
H3	C1	O5	123.391	H4	C2	O6	123.391

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/6-311+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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All results from a given calculation for C2H2O2 (Ethanedial)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)