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	hartrees
Energy at 0K	-227.452329
Energy at 298.15K
HF Energy	-226.676549
Nuclear repulsion energy	102.117731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3020	2842	0.00
2	A_g	1842	1734	0.00
3	A_g	1405	1322	0.00
4	A_g	1113	1048	0.00
5	A_g	571	537	0.00
6	A_u	839	789	1.26
7	A_u	137	129	31.94
8	B_g	1094	1029	0.00
9	B_u	3016	2839	106.09
10	B_u	1815	1708	156.90
11	B_u	1362	1281	8.38
12	B_u	339	319	51.97

Atom	x (Å)	y (Å)
C1	-0.328	0.685
C2	0.328	-0.685
H3	-1.429	0.674
H4	1.429	-0.674
O5	0.328	1.694
O6	-0.328	-1.694

	C1	C2	H3	H4	O5	O6
C1		1.5193	1.1007	2.2211	1.2035	2.3795
C2	1.5193		2.2211	1.1007	2.3795	1.2035
H3	1.1007	2.2211		3.1593	2.0312	2.6118
H4	2.2211	1.1007	3.1593		2.6118	2.0312
O5	1.2035	2.3795	2.0312	2.6118		3.4515
O6	2.3795	1.2035	2.6118	2.0312	3.4515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.004	C1	C2	O6	121.404
C2	C1	H3	115.004	C2	C1	O5	121.404
H3	C1	O5	123.592	H4	C2	O6	123.592

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)