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	hartrees
Energy at 0K	-226.913444
Energy at 298.15K
HF Energy	-226.466496
Nuclear repulsion energy	99.502855

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	3065	2912	0.00	211.51	0.26	0.41
2	A_g	1593	1513	0.00	8.42	0.71	0.83
3	A_g	1377	1309	0.00	14.38	0.50	0.66
4	A_g	1097	1042	0.00	6.84	0.47	0.64
5	A_g	564	536	0.00	6.37	0.38	0.56
6	A_u	820	779	5.19	0.00	0.00	0.00
7	A_u	160	152	34.45	0.00	0.00	0.00
8	B_g	1044	992	0.00	9.05	0.75	0.86
9	B_u	3064	2912	104.31	0.00	0.25	0.41
10	B_u	1561	1483	35.16	0.00	0.00	0.00
11	B_u	1373	1304	3.29	0.00	0.49	0.66
12	B_u	339	322	53.79	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.338	0.675
C2	0.338	-0.675
H3	-1.440	0.670
H4	1.440	-0.670
O5	0.338	1.740
O6	-0.338	-1.740

	C1	C2	H3	H4	O5	O6
C1		1.5101	1.1016	2.2300	1.2622	2.4152
C2	1.5101		2.2300	1.1016	2.4152	1.2622
H3	1.1016	2.2300		3.1769	2.0754	2.6505
H4	2.2300	1.1016	3.1769		2.6505	2.0754
O5	1.2622	2.4152	2.0754	2.6505		3.5457
O6	2.4152	1.2622	2.6505	2.0754	3.5457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	116.401	C1	C2	O6	120.936
C2	C1	H3	116.401	C2	C1	O5	120.936
H3	C1	O5	122.663	H4	C2	O6	122.663

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)