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	hartrees
Energy at 0K	-227.253199
Energy at 298.15K
HF Energy	-226.608375
Nuclear repulsion energy	101.427675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3016	3016	0.00
2	A_g	1845	1845	0.00
3	A_g	1392	1392	0.00
4	A_g	1108	1108	0.00
5	A_g	571	571	0.00
6	A_u	833	833	0.48
7	A_u	153	153	26.56
8	B_g	1083	1083	0.00
9	B_u	3009	3009	140.85
10	B_u	1816	1816	148.26
11	B_u	1345	1345	9.66
12	B_u	333	333	48.90

Atom	x (Å)	y (Å)
C1	-0.329	0.689
C2	0.329	-0.689
H3	-1.445	0.669
H4	1.445	-0.669
O5	0.329	1.706
O6	-0.329	-1.706

	C1	C2	H3	H4	O5	O6
C1		1.5271	1.1161	2.2333	1.2109	2.3953
C2	1.5271		2.2333	1.1161	2.3953	1.2109
H3	1.1161	2.2333		3.1835	2.0546	2.6238
H4	2.2333	1.1161	3.1835		2.6238	2.0546
O5	1.2109	2.3953	2.0546	2.6238		3.4751
O6	2.3953	1.2109	2.6238	2.0546	3.4751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.437	C1	C2	O6	121.625
C2	C1	H3	114.437	C2	C1	O5	121.625
H3	C1	O5	123.938	H4	C2	O6	123.938

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)