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	hartrees
Energy at 0K	-227.318757
Energy at 298.15K
HF Energy	-226.648890
Nuclear repulsion energy	101.805142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3010	3010	0.00
2	A_g	1839	1839	0.00
3	A_g	1406	1406	0.00
4	A_g	1101	1101	0.00
5	A_g	570	570	0.00
6	A_u	835	835	0.69
7	A_u	146	146	29.34
8	B_g	1081	1081	0.00
9	B_u	3005	3005	135.19
10	B_u	1812	1812	153.54
11	B_u	1360	1360	11.30
12	B_u	339	339	50.94

Atom	x (Å)	y (Å)
C1	-0.329	0.690
C2	0.329	-0.690
H3	-1.435	0.674
H4	1.435	-0.674
O5	0.329	1.700
O6	-0.329	-1.700

	C1	C2	H3	H4	O5	O6
C1		1.5276	1.1068	2.2296	1.2051	2.3891
C2	1.5276		2.2296	1.1068	2.3891	1.2051
H3	1.1068	2.2296		3.1716	2.0404	2.6191
H4	2.2296	1.1068	3.1716		2.6191	2.0404
O5	1.2051	2.3891	2.0404	2.6191		3.4622
O6	2.3891	1.2051	2.6191	2.0404	3.4622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.687	C1	C2	O6	121.468
C2	C1	H3	114.687	C2	C1	O5	121.468
H3	C1	O5	123.845	H4	C2	O6	123.845

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)