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	hartrees
Energy at 0K	-227.197465
Energy at 298.15K
HF Energy	-226.628046
Nuclear repulsion energy	102.191479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3112	3112	0.00
2	A_g	1908	1908	0.00
3	A_g	1424	1424	0.00
4	A_g	1144	1144	0.00
5	A_g	585	585	0.00
6	A_u	859	859	1.49
7	A_u	143	143	39.24
8	B_g	1131	1131	0.00
9	B_u	3110	3110	90.01
10	B_u	1877	1877	223.29
11	B_u	1382	1382	12.17
12	B_u	353	353	57.46

Atom	x (Å)	y (Å)
C1	-0.329	0.686
C2	0.329	-0.686
H3	-1.433	0.681
H4	1.433	-0.681
O5	0.329	1.691
O6	-0.329	-1.691

	C1	C2	H3	H4	O5	O6
C1		1.5221	1.1044	2.2306	1.2007	2.3773
C2	1.5221		2.2306	1.1044	2.3773	1.2007
H3	1.1044	2.2306		3.1740	2.0308	2.6169
H4	2.2306	1.1044	3.1740		2.6169	2.0308
O5	1.2007	2.3773	2.0308	2.6169		3.4453
O6	2.3773	1.2007	2.6169	2.0308	3.4453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.345	C1	C2	O6	121.189
C2	C1	H3	115.345	C2	C1	O5	121.189
H3	C1	O5	123.466	H4	C2	O6	123.466

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CID/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)