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	hartrees
Energy at 0K	-225.735410
Energy at 298.15K
HF Energy	-225.299205
Nuclear repulsion energy	99.686449

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	2876	0.00	205.73	0.28	0.43
2	A_g	1599	1521	0.00	6.64	0.57	0.73
3	A_g	1395	1327	0.00	14.84	0.60	0.75
4	A_g	1020	970	0.00	7.27	0.43	0.60
5	A_g	541	515	0.00	6.07	0.34	0.51
6	A_u	873	830	3.75	0.00	0.75	0.86
7	A_u	203	193	22.98	0.00	0.00	0.00
8	B_g	1105	1051	0.00	9.90	0.75	0.86
9	B_u	3022	2875	147.24	0.00	0.33	0.50
10	B_u	1575	1498	34.01	0.00	0.00	0.00
11	B_u	1374	1307	4.06	0.00	0.00	0.00
12	B_u	311	295	43.80	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		1.5213	1.1004	2.2034	1.2514	2.4286
C2	1.5213		2.2034	1.1004	2.4286	1.2514
H3	1.1004	2.2034		3.1333	2.0834	2.6220
H4	2.2034	1.1004	3.1333		2.6220	2.0834
O5	1.2514	2.4286	2.0834	2.6220		3.5516
O6	2.4286	1.2514	2.6220	2.0834	3.5516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.397	C1	C2	O6	122.007
C2	C1	H3	113.397	C2	C1	O5	122.007
H3	C1	O5	124.597	H4	C2	O6	124.597

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)