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	hartrees
Energy at 0K	-227.345779
Energy at 298.15K
HF Energy	-226.647308
Nuclear repulsion energy	101.418459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2978	2873
2	A_g	1780	1718
3	A_g	1388	1339
4	A_g	1083	1045
5	A_g	560	540
6	A_u	821	792
7	A_u	137	133
8	B_g	1058	1021
9	B_u	2972	2867
10	B_u	1759	1697
11	B_u	1342	1295
12	B_u	331	319

Atom	x (Å)	y (Å)
C1	-0.330	0.690
C2	0.330	-0.690
H3	-1.439	0.673
H4	1.439	-0.673
O5	0.330	1.706
O6	-0.330	-1.706

	C1	C2	H3	H4	O5	O6
C1		1.5294	1.1093	2.2327	1.2117	2.3962
C2	1.5294		2.2327	1.1093	2.3962	1.2117
H3	1.1093	2.2327		3.1767	2.0487	2.6247
H4	2.2327	1.1093	3.1767		2.6247	2.0487
O5	1.2117	2.3962	2.0487	2.6247		3.4757
O6	2.3962	1.2117	2.6247	2.0487	3.4757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.655	C1	C2	O6	121.464
C2	C1	H3	114.655	C2	C1	O5	121.464
H3	C1	O5	123.881	H4	C2	O6	123.881

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD(T)/6-311G**

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(T)/6-311G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)