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	hartrees
Energy at 0K	-227.438431
Energy at 298.15K
HF Energy	-226.668131
Nuclear repulsion energy	101.570698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3001	2869
2	A_g	1770	1692
3	A_g	1408	1346
4	A_g	1084	1036
5	A_g	560	535
6	A_u	808	772
7	A_u	104	99
8	B_g	1044	998
9	B_u	2998	2866
10	B_u	1749	1672
11	B_u	1368	1308
12	B_u	342	327

Atom	x (Å)	y (Å)
C1	-0.330	0.686
C2	0.330	-0.686
H3	-1.433	0.678
H4	1.433	-0.678
O5	0.330	1.704
O6	-0.330	-1.704

	C1	C2	H3	H4	O5	O6
C1		1.5228	1.1035	2.2288	1.2123	2.3903
C2	1.5228		2.2288	1.1035	2.3903	1.2123
H3	1.1035	2.2288		3.1703	2.0394	2.6249
H4	2.2288	1.1035	3.1703		2.6249	2.0394
O5	1.2123	2.3903	2.0394	2.6249		3.4709
O6	2.3903	1.2123	2.6249	2.0394	3.4709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.196	C1	C2	O6	121.427
C2	C1	H3	115.196	C2	C1	O5	121.427
H3	C1	O5	123.377	H4	C2	O6	123.377

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)