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	hartrees
Energy at 0K	-227.460673
Energy at 298.15K
HF Energy	-226.680512
Nuclear repulsion energy	102.232584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3028	2898	0.00
2	A_g	1852	1773	0.00
3	A_g	1406	1345	0.00
4	A_g	1116	1068	0.00
5	A_g	573	548	0.00
6	A_u	836	800	2.27
7	A_u	136	130	35.93
8	B_g	1097	1049	0.00
9	B_u	3025	2895	83.87
10	B_u	1831	1752	166.52
11	B_u	1365	1306	10.01
12	B_u	343	328	53.16

Atom	x (Å)	y (Å)
C1	-0.328	0.685
C2	0.328	-0.685
H3	-1.429	0.679
H4	1.429	-0.679
O5	0.328	1.691
O6	-0.328	-1.691

	C1	C2	H3	H4	O5	O6
C1		1.5190	1.1004	2.2241	1.2017	2.3763
C2	1.5190		2.2241	1.1004	2.3763	1.2017
H3	1.1004	2.2241		3.1634	2.0278	2.6132
H4	2.2241	1.1004	3.1634		2.6132	2.0278
O5	1.2017	2.3763	2.0278	2.6132		3.4459
O6	2.3763	1.2017	2.6132	2.0278	3.4459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.292	C1	C2	O6	121.280
C2	C1	H3	115.292	C2	C1	O5	121.280
H3	C1	O5	123.428	H4	C2	O6	123.428

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)