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	hartrees
Energy at 0K	-227.223841
Energy at 298.15K
HF Energy	-226.591539
Nuclear repulsion energy	101.433594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3067	2887	0.00
2	A_g	1832	1725	0.00
3	A_g	1412	1329	0.00
4	A_g	1116	1051	0.00
5	A_g	570	536	0.00
6	A_u	828	780	0.90
7	A_u	144	135	32.04
8	B_g	1075	1012	0.00
9	B_u	3062	2882	124.41
10	B_u	1797	1692	138.91
11	B_u	1375	1295	10.97
12	B_u	337	317	52.86

Atom	x (Å)	y (Å)
C1	-0.331	0.685
C2	0.331	-0.685
H3	-1.433	0.671
H4	1.433	-0.671
O5	0.331	1.705
O6	-0.331	-1.705

	C1	C2	H3	H4	O5	O6
C1		1.5213	1.1013	2.2248	1.2169	2.3899
C2	1.5213		2.2248	1.1013	2.3899	1.2169
H3	1.1013	2.2248		3.1640	2.0448	2.6191
H4	2.2248	1.1013	3.1640		2.6191	2.0448
O5	1.2169	2.3899	2.0448	2.6191		3.4743
O6	2.3899	1.2169	2.6191	2.0448	3.4743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.124	C1	C2	O6	121.167
C2	C1	H3	115.124	C2	C1	O5	121.167
H3	C1	O5	123.709	H4	C2	O6	123.709

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)