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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	2866	0.00	205.57	0.28	0.43
2	A_g	1600	1516	0.00	6.64	0.57	0.73
3	A_g	1395	1323	0.00	14.85	0.59	0.75
4	A_g	1020	967	0.00	7.26	0.43	0.60
5	A_g	541	513	0.00	6.06	0.34	0.51
6	A_u	873	828	3.76	0.00	0.75	0.86
7	A_u	203	193	22.96	0.00	0.00	0.00
8	B_g	1105	1048	0.00	9.89	0.75	0.86
9	B_u	3022	2865	146.88	0.00	0.33	0.50
10	B_u	1575	1494	33.93	0.00	0.00	0.00
11	B_u	1374	1302	4.03	0.00	0.00	0.00
12	B_u	311	295	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)