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	hartrees
Energy at 0K	-227.342994
Energy at 298.15K
HF Energy	-226.678588
Nuclear repulsion energy	103.047339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3119	2890	0.00
2	A_g	1944	1801	0.00
3	A_g	1451	1344	0.00
4	A_g	1154	1069	0.00
5	A_g	592	548	0.00
6	A_u	876	811	0.72
7	A_u	142	131	37.03
8	B_g	1151	1067	0.00
9	B_u	3116	2887	96.94
10	B_u	1915	1775	215.00
11	B_u	1407	1304	11.58
12	B_u	353	327	58.26

Atom	x (Å)	y (Å)
C1	-0.325	0.682
C2	0.325	-0.682
H3	-1.418	0.674
H4	1.418	-0.674
O5	0.325	1.678
O6	-0.325	-1.678

	C1	C2	H3	H4	O5	O6
C1		1.5122	1.0929	2.2093	1.1897	2.3607
C2	1.5122		2.2093	1.0929	2.3607	1.1897
H3	1.0929	2.2093		3.1406	2.0123	2.5938
H4	2.2093	1.0929	3.1406		2.5938	2.0123
O5	1.1897	2.3607	2.0123	2.5938		3.4191
O6	2.3607	1.1897	2.5938	2.0123	3.4191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.055	C1	C2	O6	121.329
C2	C1	H3	115.055	C2	C1	O5	121.329
H3	C1	O5	123.616	H4	C2	O6	123.616

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CID/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: CID/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)