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	hartrees
Energy at 0K	-225.748404
Energy at 298.15K
HF Energy	-225.300962
Nuclear repulsion energy	99.901912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2977	2861	0.00
2	A_g	1669	1604	0.00
3	A_g	1386	1332	0.00
4	A_g	1008	969	0.00
5	A_g	540	519	0.00
6	A_u	851	818	3.57
7	A_u	196	189	24.81
8	B_g	1079	1037	0.00
9	B_u	2975	2859	136.71
10	B_u	1641	1578	61.44
11	B_u	1360	1307	4.97
12	B_u	313	301	45.26

Atom	x (Å)	y (Å)
C1	-0.333	0.688
C2	0.333	-0.688
H3	-1.435	0.644
H4	1.435	-0.644
O5	0.333	1.739
O6	-0.333	-1.739

	C1	C2	H3	H4	O5	O6
C1		1.5290	1.1037	2.2138	1.2433	2.4271
C2	1.5290		2.2138	1.1037	2.4271	1.2433
H3	1.1037	2.2138		3.1465	2.0796	2.6255
H4	2.2138	1.1037	3.1465		2.6255	2.0796
O5	1.2433	2.4271	2.0796	2.6255		3.5405
O6	2.4271	1.2433	2.6255	2.0796	3.5405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.480	C1	C2	O6	121.864
C2	C1	H3	113.480	C2	C1	O5	121.864
H3	C1	O5	124.656	H4	C2	O6	124.656

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)