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	hartrees
Energy at 0K	-227.207932
Energy at 298.15K
HF Energy	-226.587693
Nuclear repulsion energy	101.339977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3030	2885	0.00
2	A_g	1828	1741	0.00
3	A_g	1399	1332	0.00
4	A_g	1114	1061	0.00
5	A_g	569	542	0.00
6	A_u	820	781	1.47
7	A_u	146	139	32.94
8	B_g	1070	1019	0.00
9	B_u	3025	2881	118.70
10	B_u	1795	1709	139.23
11	B_u	1366	1301	9.10
12	B_u	338	322	53.85

Atom	x (Å)	y (Å)
C1	0.000	0.761
C2	0.000	-0.761
H3	1.001	1.235
H4	-1.001	-1.235
O5	-1.042	1.390
O6	1.042	-1.390

	C1	C2	H3	H4	O5	O6
C1		1.5226	1.1070	2.2328	1.2174	2.3907
C2	1.5226		2.2328	1.1070	2.3907	1.2174
H3	1.1070	2.2328		3.1785	2.0490	2.6251
H4	2.2328	1.1070	3.1785		2.6251	2.0490
O5	1.2174	2.3907	2.0490	2.6251		3.4751
O6	2.3907	1.2174	2.6251	2.0490	3.4751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.314	C1	C2	O6	121.097
C2	C1	H3	115.314	C2	C1	O5	121.097
H3	C1	O5	123.588	H4	C2	O6	123.588

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)