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	hartrees
Energy at 0K	-227.533502
Energy at 298.15K
HF Energy	-226.674483
Nuclear repulsion energy	102.024837

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	3031	2857	0.00	231.99	0.24	0.38
2	A_g	1763	1662	0.00	33.26	0.44	0.61
3	A_g	1391	1311	0.00	11.50	0.26	0.42
4	A_g	1112	1048	0.00	7.14	0.58	0.73
5	A_g	564	532	0.00	4.47	0.19	0.32
6	A_u	828	781	2.25	0.00	0.00	0.00
7	A_u	131	123	34.26	0.00	0.00	0.00
8	B_g	1082	1020	0.00	3.69	0.75	0.86
9	B_u	3028	2855	94.95	0.00	0.00	0.00
10	B_u	1750	1650	130.19	0.00	0.00	0.00
11	B_u	1350	1273	5.94	0.00	0.00	0.00
12	B_u	337	318	50.39	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.328	0.681
C2	0.328	-0.681
H3	-1.429	0.672
H4	1.429	-0.672
O5	0.328	1.696
O6	-0.328	-1.696

	C1	C2	H3	H4	O5	O6
C1		1.5110	1.1005	2.2169	1.2088	2.3762
C2	1.5110		2.2169	1.1005	2.3762	1.2088
H3	1.1005	2.2169		3.1572	2.0336	2.6105
H4	2.2169	1.1005	3.1572		2.6105	2.0336
O5	1.2088	2.3762	2.0336	2.6105		3.4543
O6	2.3762	1.2088	2.6105	2.0336	3.4543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.277	C1	C2	O6	121.370
C2	C1	H3	115.277	C2	C1	O5	121.370
H3	C1	O5	123.353	H4	C2	O6	123.353

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)