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	hartrees
Energy at 0K	-227.237563
Energy at 298.15K
HF Energy	-226.608836
Nuclear repulsion energy	101.536776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3021	2890	0.00
2	A_g	1863	1782	0.00
3	A_g	1398	1337	0.00
4	A_g	1111	1063	0.00
5	A_g	574	549	0.00
6	A_u	836	800	0.64
7	A_u	157	150	26.60
8	B_g	1087	1040	0.00
9	B_u	3014	2884	133.16
10	B_u	1839	1759	133.07
11	B_u	1350	1291	10.88
12	B_u	335	320	48.94

Atom	x (Å)	y (Å)
C1	-0.328	0.689
C2	0.328	-0.689
H3	-1.445	0.671
H4	1.445	-0.671
O5	0.328	1.704
O6	-0.328	-1.704

	C1	C2	H3	H4	O5	O6
C1		1.5271	1.1165	2.2349	1.2086	2.3934
C2	1.5271		2.2349	1.1165	2.3934	1.2086
H3	1.1165	2.2349		3.1860	2.0521	2.6244
H4	2.2349	1.1165	3.1860		2.6244	2.0521
O5	1.2086	2.3934	2.0521	2.6244		3.4707
O6	2.3934	1.2086	2.6244	2.0521	3.4707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.532	C1	C2	O6	121.617
C2	C1	H3	114.532	C2	C1	O5	121.617
H3	C1	O5	123.851	H4	C2	O6	123.851

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)