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	hartrees
Energy at 0K	-227.357840
Energy at 298.15K
HF Energy	-226.682537
Nuclear repulsion energy	103.019964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3117	3117	0.00
2	A_g	1937	1937	0.00
3	A_g	1447	1447	0.00
4	A_g	1150	1150	0.00
5	A_g	589	589	0.00
6	A_u	869	869	1.31
7	A_u	136	136	40.32
8	B_g	1148	1148	0.00
9	B_u	3115	3115	82.66
10	B_u	1909	1909	234.07
11	B_u	1404	1404	12.39
12	B_u	354	354	58.87

Atom	x (Å)	y (Å)
C1	-0.326	0.683
C2	0.326	-0.683
H3	-1.419	0.677
H4	1.419	-0.677
O5	0.326	1.678
O6	-0.326	-1.678

	C1	C2	H3	H4	O5	O6
C1		1.5133	1.0931	2.2127	1.1900	2.3606
C2	1.5133		2.2127	1.0931	2.3606	1.1900
H3	1.0931	2.2127		3.1451	2.0121	2.5964
H4	2.2127	1.0931	3.1451		2.5964	2.0121
O5	1.1900	2.3606	2.0121	2.5964		3.4187
O6	2.3606	1.1900	2.5964	2.0121	3.4187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.249	C1	C2	O6	121.212
C2	C1	H3	115.249	C2	C1	O5	121.212
H3	C1	O5	123.539	H4	C2	O6	123.539

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CID/daug-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: CID/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)