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	hartrees
Energy at 0K	-227.204255
Energy at 298.15K
HF Energy	-226.589899
Nuclear repulsion energy	101.251438

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	3078	2882	0.00	208.93	0.27	0.42
2	A_g	1762	1650	0.00	17.00	0.64	0.78
3	A_g	1407	1317	0.00	14.60	0.45	0.62
4	A_g	1121	1050	0.00	7.62	0.63	0.77
5	A_g	568	532	0.00	4.98	0.35	0.52
6	A_u	834	781	1.37	0.00	0.00	0.00
7	A_u	151	141	29.58	0.00	0.00	0.00
8	B_g	1077	1008	0.00	8.70	0.75	0.86
9	B_u	3073	2877	123.24	0.00	0.00	0.00
10	B_u	1744	1633	86.12	0.00	0.00	0.00
11	B_u	1370	1283	8.10	0.00	0.45	0.62
12	B_u	333	312	50.65	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.331	0.680
C2	0.331	-0.680
H3	-1.433	0.664
H4	1.433	-0.664
O5	0.331	1.709
O6	-0.331	-1.709

	C1	C2	H3	H4	O5	O6
C1		1.5136	1.1012	2.2180	1.2238	2.3893
C2	1.5136		2.2180	1.1012	2.3893	1.2238
H3	1.1012	2.2180		3.1580	2.0502	2.6161
H4	2.2180	1.1012	3.1580		2.6161	2.0502
O5	1.2238	2.3893	2.0502	2.6161		3.4816
O6	2.3893	1.2238	2.6161	2.0502	3.4816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.136	C1	C2	O6	121.218
C2	C1	H3	115.136	C2	C1	O5	121.218
H3	C1	O5	123.645	H4	C2	O6	123.645

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)