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	hartrees
Energy at 0K	-227.329795
Energy at 298.15K
HF Energy	-226.643743
Nuclear repulsion energy	101.391623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2968	2857
2	A_g	1781	1714
3	A_g	1383	1331
4	A_g	1084	1044
5	A_g	561	540
6	A_u	811	781
7	A_u	138	133
8	B_g	1051	1012
9	B_u	2962	2851
10	B_u	1758	1692
11	B_u	1340	1290
12	B_u	333	320

Atom	x (Å)	y (Å)
C1	-0.330	0.689
C2	0.330	-0.689
H3	-1.440	0.678
H4	1.440	-0.678
O5	0.330	1.707
O6	-0.330	-1.707

	C1	C2	H3	H4	O5	O6
C1		1.5283	1.1101	2.2364	1.2123	2.3961
C2	1.5283		2.2364	1.1101	2.3961	1.2123
H3	1.1101	2.2364		3.1831	2.0465	2.6308
H4	2.2364	1.1101	3.1831		2.6308	2.0465
O5	1.2123	2.3961	2.0465	2.6308		3.4765
O6	2.3961	1.2123	2.6308	2.0465	3.4765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.989	C1	C2	O6	121.497
C2	C1	H3	114.989	C2	C1	O5	121.497
H3	C1	O5	123.515	H4	C2	O6	123.515

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)