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	hartrees
Energy at 0K	-227.523887
Energy at 298.15K
HF Energy	-226.693034
Nuclear repulsion energy	101.868664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3023	2871	0.00	241.32	0.22	0.36
2	A_g	1745	1657	0.00	32.59	0.45	0.62
3	A_g	1384	1314	0.00	12.07	0.24	0.39
4	A_g	1105	1049	0.00	7.31	0.56	0.72
5	A_g	560	532	0.00	4.77	0.17	0.30
6	A_u	824	782	2.59	0.00	0.73	0.85
7	A_u	129	122	33.78	0.00	0.75	0.86
8	B_g	1075	1021	0.00	3.20	0.75	0.86
9	B_u	3020	2868	93.28	0.00	0.14	0.00
10	B_u	1733	1646	130.43	0.00	0.00	0.00
11	B_u	1343	1276	5.55	0.00	0.00	0.00
12	B_u	334	317	49.94	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.329	0.681
C2	0.329	-0.681
H3	-1.430	0.671
H4	1.430	-0.671
O5	0.329	1.698
O6	-0.329	-1.698

	C1	C2	H3	H4	O5	O6
C1		1.5136	1.1006	2.2191	1.2112	2.3793
C2	1.5136		2.2191	1.1006	2.3793	1.2112
H3	1.1006	2.2191		3.1592	2.0366	2.6125
H4	2.2191	1.1006	3.1592		2.6125	2.0366
O5	1.2112	2.3793	2.0366	2.6125		3.4591
O6	2.3793	1.2112	2.6125	2.0366	3.4591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.273	C1	C2	O6	121.272
C2	C1	H3	115.273	C2	C1	O5	121.272
H3	C1	O5	123.456	H4	C2	O6	123.456

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/aug-cc-pVQZ

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: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)