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	hartrees
Energy at 0K	-227.507012
Energy at 298.15K
HF Energy	-226.678672
Nuclear repulsion energy	101.653713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2986	2986
2	A_g	1768	1768
3	A_g	1376	1376
4	A_g	1091	1091
5	A_g	557	557
6	A_u	813	813
7	A_u	129	129
8	B_g	1062	1062
9	B_u	2982	2982
10	B_u	1748	1748
11	B_u	1336	1336
12	B_u	332	332

Atom	x (Å)	y (Å)
C1	-0.330	0.685
C2	0.330	-0.685
H3	-1.434	0.676
H4	1.434	-0.676
O5	0.330	1.701
O6	-0.330	-1.701

	C1	C2	H3	H4	O5	O6
C1		1.5212	1.1036	2.2285	1.2120	2.3863
C2	1.5212		2.2285	1.1036	2.3863	1.2120
H3	1.1036	2.2285		3.1709	2.0403	2.6212
H4	2.2285	1.1036	3.1709		2.6212	2.0403
O5	1.2120	2.3863	2.0403	2.6212		3.4659
O6	2.3863	1.2120	2.6212	2.0403	3.4659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.288	C1	C2	O6	121.227
C2	C1	H3	115.288	C2	C1	O5	121.227
H3	C1	O5	123.484	H4	C2	O6	123.484

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD(T)/daug-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: CCSD(T)/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)