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	hartrees
Energy at 0K	-227.736890
Energy at 298.15K	-227.731708
HF Energy	-227.835733
Nuclear repulsion energy	101.912553

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	2934	2831	0.00	218.76	0.28	0.44
2	A_g	1823	1759	0.00	43.85	0.48	0.65
3	A_g	1381	1333	0.00	12.20	0.53	0.70
4	A_g	1066	1029	0.00	9.64	0.71	0.83
5	A_g	554	534	0.00	4.21	0.31	0.48
6	A_u	820	791	0.32	0.00	0.00	0.00
7	A_u	143	138	26.85	0.00	0.00	0.00
8	B_g	1082	1045	0.00	7.46	0.75	0.86
9	B_u	2929	2826	147.20	0.00	0.00	0.00
10	B_u	1822	1758	166.54	0.00	0.00	0.00
11	B_u	1337	1291	8.76	0.00	0.00	0.00
12	B_u	324	313	47.52	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.326	0.690
C2	0.326	-0.690
H3	-1.436	0.666
H4	1.436	-0.666
O5	0.326	1.699
O6	-0.326	-1.699

	C1	C2	H3	H4	O5	O6
C1		1.5258	1.1099	2.2237	1.2024	2.3887
C2	1.5258		2.2237	1.1099	2.3887	1.2024
H3	1.1099	2.2237		3.1663	2.0430	2.6127
H4	2.2237	1.1099	3.1663		2.6127	2.0430
O5	1.2024	2.3887	2.0430	2.6127		3.4605
O6	2.3887	1.2024	2.6127	2.0430	3.4605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.847	C1	C2	O6	122.138
C2	C1	H3	113.847	C2	C1	O5	122.138
H3	C1	O5	124.015	H4	C2	O6	124.015

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: G4

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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Number	Element	Mulliken
1	C	0.085
2	C	0.085
3	H	0.112
4	H	0.112
5	O	-0.197
6	O	-0.197

<r²>	74.692
(<r²>)^1/2	8.642

All results from a given calculation for C2H2O2 (Ethanedial)

using model chemistry: G4

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)