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	hartrees
Energy at 0K	-225.738099
Energy at 298.15K
HF Energy	-225.302284
Nuclear repulsion energy	100.257838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3007	2924	0.00
2	A_g	1695	1648	0.00
3	A_g	1401	1362	0.00
4	A_g	1028	1000	0.00
5	A_g	554	539	0.00
6	A_u	859	835	4.65
7	A_u	202	196	24.71
8	B_g	1087	1057	0.00
9	B_u	3006	2923	118.82
10	B_u	1677	1631	36.18
11	B_u	1374	1336	6.20
12	B_u	321	312	44.99

Atom	x (Å)	y (Å)
C1	-0.331	0.685
C2	0.331	-0.685
H3	-1.432	0.646
H4	1.432	-0.646
O5	0.331	1.732
O6	-0.331	-1.732

	C1	C2	H3	H4	O5	O6
C1		1.5215	1.1018	2.2095	1.2393	2.4170
C2	1.5215		2.2095	1.1018	2.4170	1.2393
H3	1.1018	2.2095		3.1427	2.0712	2.6208
H4	2.2095	1.1018	3.1427		2.6208	2.0712
O5	1.2393	2.4170	2.0712	2.6208		3.5271
O6	2.4170	1.2393	2.6208	2.0712	3.5271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.802	C1	C2	O6	121.866
C2	C1	H3	113.802	C2	C1	O5	121.866
H3	C1	O5	124.333	H4	C2	O6	124.333

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)