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	hartrees
Energy at 0K	-227.335013
Energy at 298.15K
HF Energy	-226.610010
Nuclear repulsion energy	101.686888

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	3032	2863	0.00	197.21	0.27	0.43
2	A_g	1767	1669	0.00	19.65	0.55	0.71
3	A_g	1390	1313	0.00	13.49	0.43	0.61
4	A_g	1107	1046	0.00	7.01	0.62	0.77
5	A_g	562	530	0.00	4.69	0.30	0.46
6	A_u	836	790	0.96	0.00	0.00	0.00
7	A_u	149	141	27.35	0.00	0.00	0.00
8	B_g	1087	1027	0.00	6.58	0.75	0.86
9	B_u	3028	2860	107.23	0.00	0.00	0.00
10	B_u	1755	1658	97.65	0.00	0.54	0.70
11	B_u	1350	1275	6.85	0.00	0.00	0.00
12	B_u	318	301	47.49	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.328	0.683
C2	0.328	-0.683
H3	-1.433	0.662
H4	1.433	-0.662
O5	0.328	1.702
O6	-0.328	-1.702

	C1	C2	H3	H4	O5	O6
C1		1.5162	1.1045	2.2164	1.2125	2.3857
C2	1.5162		2.2164	1.1045	2.3857	1.2125
H3	1.1045	2.2164		3.1569	2.0453	2.6100
H4	2.2164	1.1045	3.1569		2.6100	2.0453
O5	1.2125	2.3857	2.0453	2.6100		3.4677
O6	2.3857	1.2125	2.6100	2.0453	3.4677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.591	C1	C2	O6	121.524
C2	C1	H3	114.591	C2	C1	O5	121.524
H3	C1	O5	123.885	H4	C2	O6	123.885

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)