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	hartrees
Energy at 0K	-227.220679
Energy at 298.15K
HF Energy	-226.591952
Nuclear repulsion energy	101.571256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3077	2869	0.00
2	A_g	1843	1719	0.00
3	A_g	1418	1322	0.00
4	A_g	1123	1047	0.00
5	A_g	575	536	0.00
6	A_u	831	775	1.12
7	A_u	148	138	31.95
8	B_g	1078	1005	0.00
9	B_u	3072	2865	115.26
10	B_u	1813	1691	127.28
11	B_u	1380	1287	11.80
12	B_u	340	317	52.97

Atom	x (Å)	y (Å)
C1	-0.331	0.683
C2	0.331	-0.683
H3	-1.432	0.672
H4	1.432	-0.672
O5	0.331	1.703
O6	-0.331	-1.703

	C1	C2	H3	H4	O5	O6
C1		1.5188	1.1005	2.2233	1.2154	2.3859
C2	1.5188		2.2233	1.1005	2.3859	1.2154
H3	1.1005	2.2233		3.1625	2.0421	2.6167
H4	2.2233	1.1005	3.1625		2.6167	2.0421
O5	1.2154	2.3859	2.0421	2.6167		3.4688
O6	2.3859	1.2154	2.6167	2.0421	3.4688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.238	C1	C2	O6	121.128
C2	C1	H3	115.238	C2	C1	O5	121.128
H3	C1	O5	123.635	H4	C2	O6	123.635

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)