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	hartrees
Energy at 0K	-227.226131
Energy at 298.15K
HF Energy	-226.606366
Nuclear repulsion energy	101.079997

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	3016	2872	0.00	267.30	0.27	0.42
2	A_g	1765	1682	0.00	22.49	0.74	0.85
3	A_g	1382	1316	0.00	16.70	0.40	0.58
4	A_g	1105	1053	0.00	7.84	0.61	0.76
5	A_g	564	537	0.00	5.45	0.34	0.51
6	A_u	834	795	0.68	0.00	0.00	0.00
7	A_u	155	148	24.37	0.00	0.00	0.00
8	B_g	1080	1028	0.00	8.71	0.75	0.86
9	B_u	3008	2865	154.56	0.00	0.23	0.38
10	B_u	1747	1664	100.75	0.00	0.00	0.00
11	B_u	1335	1271	6.31	0.00	0.00	0.00
12	B_u	326	310	46.70	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.329	0.687
C2	0.329	-0.687
H3	-1.446	0.661
H4	1.446	-0.661
O5	0.329	1.713
O6	-0.329	-1.713

	C1	C2	H3	H4	O5	O6
C1		1.5229	1.1167	2.2287	1.2194	2.3997
C2	1.5229		2.2287	1.1167	2.3997	1.2194
H3	1.1167	2.2287		3.1794	2.0630	2.6238
H4	2.2287	1.1167	3.1794		2.6238	2.0630
O5	1.2194	2.3997	2.0630	2.6238		3.4888
O6	2.3997	1.2194	2.6238	2.0630	3.4888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.319	C1	C2	O6	121.712
C2	C1	H3	114.319	C2	C1	O5	121.712
H3	C1	O5	123.969	H4	C2	O6	123.969

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)