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	hartrees
Energy at 0K	-227.289976
Energy at 298.15K
HF Energy	-226.623929
Nuclear repulsion energy	101.185673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3021	2910	0.00
2	A_g	1800	1734	0.00
3	A_g	1376	1326	0.00
4	A_g	1107	1067	0.00
5	A_g	564	543	0.00
6	A_u	816	786	2.05
7	A_u	131	127	35.22
8	B_g	1067	1028	0.00
9	B_u	3017	2907	97.91
10	B_u	1771	1706	166.92
11	B_u	1335	1286	8.91
12	B_u	341	329	52.27

Atom	x (Å)	y (Å)
C1	-0.332	0.689
C2	0.332	-0.689
H3	-1.445	0.683
H4	1.445	-0.683
O5	0.332	1.708
O6	-0.332	-1.708

	C1	C2	H3	H4	O5	O6
C1		1.5296	1.1131	2.2448	1.2160	2.3976
C2	1.5296		2.2448	1.1131	2.3976	1.2160
H3	1.1131	2.2448		3.1963	2.0509	2.6381
H4	2.2448	1.1131	3.1963		2.6381	2.0509
O5	1.2160	2.3976	2.0509	2.6381		3.4806
O6	2.3976	1.2160	2.6381	2.0509	3.4806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.395	C1	C2	O6	121.250
C2	C1	H3	115.395	C2	C1	O5	121.250
H3	C1	O5	123.355	H4	C2	O6	123.355

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)