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	hartrees
Energy at 0K	-227.544355
Energy at 298.15K
HF Energy	-226.675862
Nuclear repulsion energy	102.086204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3010	2883
2	A_g	1792	1717
3	A_g	1405	1346
4	A_g	1107	1060
5	A_g	567	543
6	A_u	845	809
7	A_u	144	138
8	B_g	1093	1047
9	B_u	3005	2879
10	B_u	1770	1696
11	B_u	1362	1305
12	B_u	336	322

Atom	x (Å)	y (Å)
C1	-0.328	0.681
C2	0.328	-0.681
H3	-1.425	0.668
H4	1.425	-0.668
O5	0.328	1.696
O6	-0.328	-1.696

	C1	C2	H3	H4	O5	O6
C1		1.5122	1.0971	2.2118	1.2076	2.3772
C2	1.5122		2.2118	1.0971	2.3772	1.2076
H3	1.0971	2.2118		3.1471	2.0313	2.6062
H4	2.2118	1.0971	3.1471		2.6062	2.0313
O5	1.2076	2.3772	2.0313	2.6062		3.4544
O6	2.3772	1.2076	2.6062	2.0313	3.4544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.991	C1	C2	O6	121.461
C2	C1	H3	114.991	C2	C1	O5	121.461
H3	C1	O5	123.548	H4	C2	O6	123.548

All results from a given calculation for C₂H₂O₂ (Ethanedial)

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

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)