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	hartrees
Energy at 0K	-44.069384
Energy at 298.15K
HF Energy	-43.493390
Nuclear repulsion energy	53.179598

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	3062	2907	0.00	197.02	0.28	0.43
2	A_g	1743	1655	0.00	22.76	0.41	0.58
3	A_g	1368	1299	0.00	14.86	0.46	0.63
4	A_g	1104	1048	0.00	9.29	0.57	0.72
5	A_g	550	522	0.00	5.80	0.38	0.55
6	A_u	816	775	6.57	0.00	0.00	0.00
7	A_u	142	135	34.70	0.00	0.00	0.00
8	B_g	1052	999	0.00	2.35	0.75	0.86
9	B_u	3059	2904	142.37	0.00	0.20	0.00
10	B_u	1713	1626	119.52	0.00	0.00	0.00
11	B_u	1319	1252	9.25	0.00	0.00	0.00
12	B_u	316	300	50.76	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.337	0.694
C2	0.337	-0.694
H3	-1.451	0.685
H4	1.451	-0.685
O5	0.337	1.732
O6	-0.337	-1.732

	C1	C2	H3	H4	O5	O6
C1		1.5427	1.1138	2.2574	1.2374	2.4257
C2	1.5427		2.2574	1.1138	2.4257	1.2374
H3	1.1138	2.2574		3.2082	2.0716	2.6608
H4	2.2574	1.1138	3.2082		2.6608	2.0716
O5	1.2374	2.4257	2.0716	2.6608		3.5285
O6	2.4257	1.2374	2.6608	2.0716	3.5285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.425	C1	C2	O6	121.114
C2	C1	H3	115.425	C2	C1	O5	121.114
H3	C1	O5	123.461	H4	C2	O6	123.461

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)