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	hartrees
Energy at 0K	-227.212522
Energy at 298.15K
HF Energy	-226.647803
Nuclear repulsion energy	102.689830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3107	2886	0.00
2	A_g	1940	1802	0.00
3	A_g	1447	1344	0.00
4	A_g	1140	1060	0.00
5	A_g	591	549	0.00
6	A_u	863	802	0.87
7	A_u	150	140	35.55
8	B_g	1130	1049	0.00
9	B_u	3103	2883	121.55
10	B_u	1911	1776	206.11
11	B_u	1402	1303	12.86
12	B_u	353	328	57.89

Atom	x (Å)	y (Å)
C1	-0.326	0.686
C2	0.326	-0.686
H3	-1.425	0.680
H4	1.425	-0.680
O5	0.326	1.684
O6	-0.326	-1.684

	C1	C2	H3	H4	O5	O6
C1		1.5192	1.0993	2.2207	1.1924	2.3706
C2	1.5192		2.2207	1.0993	2.3706	1.1924
H3	1.0993	2.2207		3.1579	2.0191	2.6071
H4	2.2207	1.0993	3.1579		2.6071	2.0191
O5	1.1924	2.3706	2.0191	2.6071		3.4314
O6	2.3706	1.1924	2.6071	2.0191	3.4314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.069	C1	C2	O6	121.444
C2	C1	H3	115.069	C2	C1	O5	121.444
H3	C1	O5	123.487	H4	C2	O6	123.487

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)