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	hartrees
Energy at 0K	-226.642931
Energy at 298.15K
HF Energy	-226.642931
Nuclear repulsion energy	101.787235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2871	2828	0.00
2	A_g	1786	1759	0.00
3	A_g	1316	1296	0.00
4	A_g	1067	1051	0.00
5	A_g	553	544	0.00
6	A_u	772	760	3.92
7	A_u	118	116	32.95
8	B_g	1034	1018	0.00
9	B_u	2866	2823	123.40
10	B_u	1795	1768	173.14
11	B_u	1270	1251	2.54
12	B_u	317	312	50.11

Atom	x (Å)	y (Å)
C1	-0.329	0.678
C2	0.329	-0.678
H3	-1.451	0.662
H4	1.451	-0.662
O5	0.329	1.695
O6	-0.329	-1.695

	C1	C2	H3	H4	O5	O6
C1		1.5081	1.1220	2.2289	1.2119	2.3737
C2	1.5081		2.2289	1.1220	2.3737	1.2119
H3	1.1220	2.2289		3.1905	2.0587	2.6110
H4	2.2289	1.1220	3.1905		2.6110	2.0587
O5	1.2119	2.3737	2.0587	2.6110		3.4543
O6	2.3737	1.2119	2.6110	2.0587	3.4543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.084	C1	C2	O6	121.164
C2	C1	H3	115.084	C2	C1	O5	121.164
H3	C1	O5	123.752	H4	C2	O6	123.752

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.117
2	C	0.117
3	H	0.177
4	H	0.177
5	O	-0.295
6	O	-0.295

	x	y	z
x	4.947	0.706	0.000
y	0.706	6.067	0.000
z	0.000	0.000	2.528

<r²>	75.043
(<r²>)^1/2	8.663

All results from a given calculation for C2H2O2 (Ethanedial)

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

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)