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	hartrees
Energy at 0K	-227.219399
Energy at 298.15K
HF Energy	-226.590210
Nuclear repulsion energy	101.342704

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	3080	2878	0.00	207.77	0.27	0.42
2	A_g	1766	1651	0.00	17.16	0.64	0.78
3	A_g	1409	1316	0.00	14.54	0.45	0.62
4	A_g	1122	1049	0.00	7.51	0.63	0.78
5	A_g	569	531	0.00	4.93	0.35	0.52
6	A_u	837	782	1.35	0.00	0.00	0.00
7	A_u	152	142	29.55	0.00	0.00	0.00
8	B_g	1081	1010	0.00	8.66	0.75	0.86
9	B_u	3075	2873	122.92	0.00	0.00	0.00
10	B_u	1749	1634	86.24	0.00	0.00	0.00
11	B_u	1372	1282	7.92	0.00	0.45	0.62
12	B_u	333	312	50.66	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.331	0.680
C2	0.331	-0.680
H3	-1.431	0.663
H4	1.431	-0.663
O5	0.331	1.708
O6	-0.331	-1.708

	C1	C2	H3	H4	O5	O6
C1		1.5118	1.1002	2.2154	1.2227	2.3872
C2	1.5118		2.2154	1.1002	2.3872	1.2227
H3	1.1002	2.2154		3.1545	2.0484	2.6136
H4	2.2154	1.1002	3.1545		2.6136	2.0484
O5	1.2227	2.3872	2.0484	2.6136		3.4788
O6	2.3872	1.2227	2.6136	2.0484	3.4788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.109	C1	C2	O6	121.253
C2	C1	H3	115.109	C2	C1	O5	121.253
H3	C1	O5	123.638	H4	C2	O6	123.638

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)