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	hartrees
Energy at 0K	-225.742261
Energy at 298.15K
HF Energy	-225.299245
Nuclear repulsion energy	99.697017

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	2886	0.00	205.57	0.28	0.43
2	A_g	1600	1527	0.00	6.64	0.57	0.73
3	A_g	1395	1332	0.00	14.85	0.59	0.75
4	A_g	1020	974	0.00	7.26	0.43	0.60
5	A_g	541	517	0.00	6.06	0.34	0.51
6	A_u	873	834	3.76	0.00	0.75	0.86
7	A_u	203	194	22.96	0.00	0.00	0.00
8	B_g	1105	1055	0.00	9.89	0.75	0.86
9	B_u	3022	2885	146.88	0.00	0.33	0.50
10	B_u	1575	1504	33.93	0.00	0.00	0.00
11	B_u	1374	1312	4.03	0.00	0.00	0.00
12	B_u	311	297	43.79	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.332	0.684
C2	0.332	-0.684
H3	-1.432	0.636
H4	1.432	-0.636
O5	0.332	1.744
O6	-0.332	-1.744

	C1	C2	H3	H4	O5	O6
C1		1.5210	1.1003	2.2032	1.2513	2.4283
C2	1.5210		2.2032	1.1003	2.4283	1.2513
H3	1.1003	2.2032		3.1331	2.0832	2.6218
H4	2.2032	1.1003	3.1331		2.6218	2.0832
O5	1.2513	2.4283	2.0832	2.6218		3.5512
O6	2.4283	1.2513	2.6218	2.0832	3.5512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.410	C1	C2	O6	122.005
C2	C1	H3	113.410	C2	C1	O5	122.005
H3	C1	O5	124.585	H4	C2	O6	124.585

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)