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	hartrees
Energy at 0K	-227.534212
Energy at 298.15K
HF Energy	-226.680908
Nuclear repulsion energy	102.494774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3038	2889	0.00
2	A_g	1850	1759	0.00
3	A_g	1411	1342	0.00
4	A_g	1121	1066	0.00
5	A_g	573	545	0.00
6	A_u	851	810	1.90
7	A_u	137	130	35.99
8	B_g	1127	1072	0.00
9	B_u	3033	2885	88.75
10	B_u	1825	1736	174.88
11	B_u	1372	1305	8.47
12	B_u	344	327	53.16

Atom	x (Å)	y (Å)
C1	-0.327	0.682
C2	0.327	-0.682
H3	-1.422	0.672
H4	1.422	-0.672
O5	0.327	1.688
O6	-0.327	-1.688

	C1	C2	H3	H4	O5	O6
C1		1.5125	1.0953	2.2117	1.1999	2.3699
C2	1.5125		2.2117	1.0953	2.3699	1.1999
H3	1.0953	2.2117		3.1456	2.0230	2.6015
H4	2.2117	1.0953	3.1456		2.6015	2.0230
O5	1.1999	2.3699	2.0230	2.6015		3.4387
O6	2.3699	1.1999	2.6015	2.0230	3.4387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.075	C1	C2	O6	121.366
C2	C1	H3	115.075	C2	C1	O5	121.366
H3	C1	O5	123.559	H4	C2	O6	123.559

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)