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	hartrees
Energy at 0K	-227.487457
Energy at 298.15K
HF Energy	-226.674923
Nuclear repulsion energy	101.704641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2986	2911
2	A_g	1780	1735
3	A_g	1382	1348
4	A_g	1095	1067
5	A_g	560	545
6	A_u	822	801
7	A_u	135	131
8	B_g	1066	1040
9	B_u	2982	2907
10	B_u	1758	1714
11	B_u	1341	1307
12	B_u	328	320

Atom	x (Å)	y (Å)
C1	-0.329	0.685
C2	0.329	-0.685
H3	-1.432	0.672
H4	1.432	-0.672
O5	0.329	1.701
O6	-0.329	-1.701

	C1	C2	H3	H4	O5	O6
C1		1.5204	1.1032	2.2238	1.2108	2.3864
C2	1.5204		2.2238	1.1032	2.3864	1.2108
H3	1.1032	2.2238		3.1644	2.0403	2.6171
H4	2.2238	1.1032	3.1644		2.6171	2.0403
O5	1.2108	2.3864	2.0403	2.6171		3.4657
O6	2.3864	1.2108	2.6171	2.0403	3.4657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.985	C1	C2	O6	121.381
C2	C1	H3	114.985	C2	C1	O5	121.381
H3	C1	O5	123.634	H4	C2	O6	123.634

All results from a given calculation for C₂H₂O₂ (Ethanedial)

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

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)