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	hartrees
Energy at 0K	-227.364484
Energy at 298.15K
HF Energy	-226.643824
Nuclear repulsion energy	101.562615

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	3022	2862	0.00	253.08	0.28	0.43
2	A_g	1763	1670	0.00	23.86	0.72	0.84
3	A_g	1399	1325	0.00	15.21	0.42	0.59
4	A_g	1104	1045	0.00	7.74	0.63	0.77
5	A_g	567	537	0.00	5.46	0.35	0.51
6	A_u	831	788	1.91	0.00	0.00	0.00
7	A_u	150	142	28.13	0.00	0.00	0.00
8	B_g	1076	1019	0.00	8.28	0.75	0.86
9	B_u	3017	2857	141.62	0.00	0.31	0.47
10	B_u	1747	1655	104.90	0.00	0.70	0.82
11	B_u	1355	1283	5.63	0.00	0.00	0.00
12	B_u	336	318	49.39	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.328	0.685
C2	0.328	-0.685
H3	-1.434	0.672
H4	1.434	-0.672
O5	0.328	1.705
O6	-0.328	-1.705

	C1	C2	H3	H4	O5	O6
C1		1.5188	1.1059	2.2239	1.2132	2.3899
C2	1.5188		2.2239	1.1059	2.3899	1.2132
H3	1.1059	2.2239		3.1672	2.0430	2.6214
H4	2.2239	1.1059	3.1672		2.6214	2.0430
O5	1.2132	2.3899	2.0430	2.6214		3.4728
O6	2.3899	1.2132	2.6214	2.0430	3.4728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.929	C1	C2	O6	121.633
C2	C1	H3	114.929	C2	C1	O5	121.633
H3	C1	O5	123.439	H4	C2	O6	123.439

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)