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	hartrees
Energy at 0K	-227.119745
Energy at 298.15K
HF Energy	-226.590931
Nuclear repulsion energy	102.361273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3142	2903	0.00
2	A_g	1941	1793	0.00
3	A_g	1448	1338	0.00
4	A_g	1156	1068	0.00
5	A_g	594	548	0.00
6	A_u	860	795	1.12
7	A_u	152	140	37.84
8	B_g	1128	1042	0.00
9	B_u	3139	2899	101.06
10	B_u	1910	1765	176.00
11	B_u	1412	1304	13.29
12	B_u	353	326	59.92

Atom	x (Å)	y (Å)
C1	0.000	0.757
C2	0.000	-0.757
H3	0.992	1.228
H4	-0.992	-1.228
O5	-1.030	1.377
O6	1.030	-1.377

	C1	C2	H3	H4	O5	O6
C1		1.5140	1.0981	2.2192	1.2022	2.3698
C2	1.5140		2.2192	1.0981	2.3698	1.2022
H3	1.0981	2.2192		3.1574	2.0270	2.6059
H4	2.2192	1.0981	3.1574		2.6059	2.0270
O5	1.2022	2.3698	2.0270	2.6059		3.4395
O6	2.3698	1.2022	2.6059	2.0270	3.4395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.413	C1	C2	O6	121.069
C2	C1	H3	115.413	C2	C1	O5	121.069
H3	C1	O5	123.518	H4	C2	O6	123.518

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)