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	hartrees
Energy at 0K	-227.571623
Energy at 298.15K
HF Energy	-226.679497
Nuclear repulsion energy	102.077855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3006	2897
2	A_g	1786	1721
3	A_g	1389	1339
4	A_g	1102	1062
5	A_g	562	542
6	A_u	836	805
7	A_u	136	131
8	B_g	1101	1061
9	B_u	3001	2892
10	B_u	1767	1702
11	B_u	1351	1302
12	B_u	335	323

Atom	x (Å)	y (Å)
C1	-0.328	0.682
C2	0.328	-0.682
H3	-1.426	0.670
H4	1.426	-0.670
O5	0.328	1.695
O6	-0.328	-1.695

	C1	C2	H3	H4	O5	O6
C1		1.5134	1.0978	2.2146	1.2074	2.3770
C2	1.5134		2.2146	1.0978	2.3770	1.2074
H3	1.0978	2.2146		3.1511	2.0318	2.6075
H4	2.2146	1.0978	3.1511		2.6075	2.0318
O5	1.2074	2.3770	2.0318	2.6075		3.4533
O6	2.3770	1.2074	2.6075	2.0318	3.4533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.091	C1	C2	O6	121.356
C2	C1	H3	115.091	C2	C1	O5	121.356
H3	C1	O5	123.553	H4	C2	O6	123.553

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)