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	hartrees
Energy at 0K	-227.296565
Energy at 298.15K
HF Energy	-226.624642
Nuclear repulsion energy	101.076626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3008	3008	0.00
2	A_g	1790	1790	0.00
3	A_g	1372	1372	0.00
4	A_g	1100	1100	0.00
5	A_g	559	559	0.00
6	A_u	816	816	1.86
7	A_u	131	131	34.95
8	B_g	1069	1069	0.00
9	B_u	3004	3004	106.21
10	B_u	1757	1757	179.42
11	B_u	1332	1332	8.22
12	B_u	339	339	51.00

Atom	x (Å)	y (Å)
C1	-0.332	0.690
C2	0.332	-0.690
H3	-1.445	0.683
H4	1.445	-0.683
O5	0.332	1.711
O6	-0.332	-1.711

	C1	C2	H3	H4	O5	O6
C1		1.5319	1.1133	2.2458	1.2172	2.4010
C2	1.5319		2.2458	1.1133	2.4010	1.2172
H3	1.1133	2.2458		3.1968	2.0527	2.6399
H4	2.2458	1.1133	3.1968		2.6399	2.0527
O5	1.2172	2.4010	2.0527	2.6399		3.4851
O6	2.4010	1.2172	2.6399	2.0527	3.4851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.302	C1	C2	O6	121.282
C2	C1	H3	115.302	C2	C1	O5	121.282
H3	C1	O5	123.416	H4	C2	O6	123.416

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: QCISD/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: QCISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)