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	hartrees
Energy at 0K	-227.303298
Energy at 298.15K
HF Energy	-226.645368
Nuclear repulsion energy	101.774665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3002	2862	0.00
2	A_g	1839	1753	0.00
3	A_g	1401	1335	0.00
4	A_g	1101	1050	0.00
5	A_g	571	544	0.00
6	A_u	825	787	1.50
7	A_u	146	139	30.65
8	B_g	1073	1023	0.00
9	B_u	2997	2858	131.65
10	B_u	1811	1727	153.52
11	B_u	1357	1294	9.13
12	B_u	340	324	52.01

Atom	x (Å)	y (Å)
C1	-0.328	0.689
C2	0.328	-0.689
H3	-1.436	0.680
H4	1.436	-0.680
O5	0.328	1.700
O6	-0.328	-1.700

	C1	C2	H3	H4	O5	O6
C1		1.5267	1.1076	2.2333	1.2057	2.3893
C2	1.5267		2.2333	1.1076	2.3893	1.2057
H3	1.1076	2.2333		3.1777	2.0381	2.6253
H4	2.2333	1.1076	3.1777		2.6253	2.0381
O5	1.2057	2.3893	2.0381	2.6253		3.4632
O6	2.3893	1.2057	2.6253	2.0381	3.4632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.014	C1	C2	O6	121.506
C2	C1	H3	115.014	C2	C1	O5	121.506
H3	C1	O5	123.480	H4	C2	O6	123.480

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD/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/6-311G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)