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	hartrees
Energy at 0K	-227.351079
Energy at 298.15K
HF Energy	-226.611925
Nuclear repulsion energy	102.030275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3034	2869	0.00
2	A_g	1852	1751	0.00
3	A_g	1405	1328	0.00
4	A_g	1111	1051	0.00
5	A_g	569	538	0.00
6	A_u	839	793	0.82
7	A_u	148	140	29.88
8	B_g	1097	1037	0.00
9	B_u	3031	2866	98.37
10	B_u	1827	1728	142.25
11	B_u	1364	1290	10.44
12	B_u	326	308	50.17

Atom	x (Å)	y (Å)
C1	-0.328	0.687
C2	0.328	-0.687
H3	-1.432	0.670
H4	1.432	-0.670
O5	0.328	1.696
O6	-0.328	-1.696

	C1	C2	H3	H4	O5	O6
C1		1.5217	1.1036	2.2218	1.2037	2.3823
C2	1.5217		2.2218	1.1036	2.3823	1.2037
H3	1.1036	2.2218		3.1611	2.0367	2.6105
H4	2.2218	1.1036	3.1611		2.6105	2.0367
O5	1.2037	2.3823	2.0367	2.6105		3.4544
O6	2.3823	1.2037	2.6105	2.0367	3.4544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.680	C1	C2	O6	121.436
C2	C1	H3	114.680	C2	C1	O5	121.436
H3	C1	O5	123.884	H4	C2	O6	123.884

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)