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	hartrees
Energy at 0K	-227.453035
Energy at 298.15K
HF Energy	-226.675944
Nuclear repulsion energy	102.188278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3019	2848	0.00
2	A_g	1844	1739	0.00
3	A_g	1402	1322	0.00
4	A_g	1111	1047	0.00
5	A_g	569	536	0.00
6	A_u	831	783	1.69
7	A_u	130	123	36.30
8	B_g	1090	1028	0.00
9	B_u	3017	2845	91.95
10	B_u	1818	1715	177.95
11	B_u	1361	1283	10.12
12	B_u	342	323	53.18

Atom	x (Å)	y (Å)
C1	-0.328	0.686
C2	0.328	-0.686
H3	-1.430	0.680
H4	1.430	-0.680
O5	0.328	1.692
O6	-0.328	-1.692

	C1	C2	H3	H4	O5	O6
C1		1.5217	1.1019	2.2272	1.2012	2.3782
C2	1.5217		2.2272	1.1019	2.3782	1.2012
H3	1.1019	2.2272		3.1676	2.0292	2.6154
H4	2.2272	1.1019	3.1676		2.6154	2.0292
O5	1.2012	2.3782	2.0292	2.6154		3.4470
O6	2.3782	1.2012	2.6154	2.0292	3.4470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.248	C1	C2	O6	121.270
C2	C1	H3	115.248	C2	C1	O5	121.270
H3	C1	O5	123.482	H4	C2	O6	123.482

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)