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	hartrees
Energy at 0K	-227.220854
Energy at 298.15K
HF Energy	-226.597617
Nuclear repulsion energy	101.120770

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	3085	2902	0.00	230.22	0.27	0.42
2	A_g	1741	1638	0.00	30.65	0.46	0.63
3	A_g	1402	1319	0.00	13.24	0.35	0.52
4	A_g	1119	1053	0.00	7.75	0.56	0.72
5	A_g	566	532	0.00	4.52	0.27	0.42
6	A_u	822	773	3.84	0.00	0.00	0.00
7	A_u	133	125	37.22	0.00	0.00	0.00
8	B_g	1073	1009	0.00	6.47	0.75	0.86
9	B_u	3082	2899	95.50	0.00	0.31	0.47
10	B_u	1722	1619	114.58	0.00	0.00	0.00
11	B_u	1365	1284	6.88	0.00	0.00	0.00
12	B_u	342	321	52.53	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.333	0.680
C2	0.333	-0.680
H3	-1.433	0.675
H4	1.433	-0.675
O5	0.333	1.710
O6	-0.333	-1.710

	C1	C2	H3	H4	O5	O6
C1		1.5145	1.1004	2.2260	1.2264	2.3906
C2	1.5145		2.2260	1.1004	2.3906	1.2264
H3	1.1004	2.2260		3.1683	2.0470	2.6270
H4	2.2260	1.1004	3.1683		2.6270	2.0470
O5	1.2264	2.3906	2.0470	2.6270		3.4848
O6	2.3906	1.2264	2.6270	2.0470	3.4848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.795	C1	C2	O6	121.071
C2	C1	H3	115.795	C2	C1	O5	121.071
H3	C1	O5	123.134	H4	C2	O6	123.134

All results from a given calculation for C₂H₂O₂ (Ethanedial)

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

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)