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	hartrees
Energy at 0K	-227.331679
Energy at 298.15K
HF Energy	-226.670149
Nuclear repulsion energy	102.096349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3044	2886	0.00
2	A_g	1850	1753	0.00
3	A_g	1432	1358	0.00
4	A_g	1107	1049	0.00
5	A_g	575	545	0.00
6	A_u	826	783	1.16
7	A_u	132	125	33.95
8	B_g	1073	1018	0.00
9	B_u	3042	2884	106.64
10	B_u	1830	1734	141.96
11	B_u	1391	1319	12.72
12	B_u	351	333	51.29

Atom	x (Å)	y (Å)
C1	-0.328	0.686
C2	0.328	-0.686
H3	-1.429	0.681
H4	1.429	-0.681
O5	0.328	1.695
O6	-0.328	-1.695

	C1	C2	H3	H4	O5	O6
C1		1.5206	1.1011	2.2258	1.2031	2.3807
C2	1.5206		2.2258	1.1011	2.3807	1.2031
H3	1.1011	2.2258		3.1657	2.0284	2.6183
H4	2.2258	1.1011	3.1657		2.6183	2.0284
O5	1.2031	2.3807	2.0284	2.6183		3.4523
O6	2.3807	1.2031	2.6183	2.0284	3.4523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.275	C1	C2	O6	121.433
C2	C1	H3	115.275	C2	C1	O5	121.433
H3	C1	O5	123.292	H4	C2	O6	123.292

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)