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	hartrees
Energy at 0K	-226.934273
Energy at 298.15K
HF Energy	-226.506980
Nuclear repulsion energy	98.508491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3064	2951	0.00	207.87	0.24	0.39
2	A_g	1569	1512	0.00	6.32	0.73	0.84
3	A_g	1367	1317	0.00	17.61	0.50	0.67
4	A_g	1070	1031	0.00	9.39	0.42	0.59
5	A_g	545	525	0.00	7.03	0.39	0.56
6	A_u	835	804	7.86	0.00	0.00	0.00
7	A_u	156	150	38.41	0.00	0.00	0.00
8	B_g	1039	1001	0.00	3.16	0.75	0.86
9	B_u	3065	2951	122.92	0.00	0.25	0.40
10	B_u	1512	1457	49.07	0.00	0.00	0.00
11	B_u	1355	1305	4.63	0.00	0.00	0.00
12	B_u	327	315	54.23	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.340	0.687
C2	0.340	-0.687
H3	-1.447	0.677
H4	1.447	-0.677
O5	0.340	1.761
O6	-0.340	-1.761

	C1	C2	H3	H4	O5	O6
C1		1.5340	1.1070	2.2483	1.2712	2.4486
C2	1.5340		2.2483	1.1070	2.4486	1.2712
H3	1.1070	2.2483		3.1949	2.0906	2.6773
H4	2.2483	1.1070	3.1949		2.6773	2.0906
O5	1.2712	2.4486	2.0906	2.6773		3.5875
O6	2.4486	1.2712	2.6773	2.0906	3.5875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.766	C1	C2	O6	121.315
C2	C1	H3	115.766	C2	C1	O5	121.315
H3	C1	O5	122.919	H4	C2	O6	122.919

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)