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	hartrees
Energy at 0K	-227.277201
Energy at 298.15K
HF Energy	-226.622869
Nuclear repulsion energy	100.868488

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	3024	3024	0.00	254.24	0.23	0.37
2	A_g	1716	1716	0.00	32.87	0.46	0.63
3	A_g	1367	1367	0.00	13.13	0.24	0.39
4	A_g	1103	1103	0.00	7.79	0.53	0.69
5	A_g	557	557	0.00	5.23	0.18	0.30
6	A_u	819	819	2.89	0.00	0.00	0.00
7	A_u	135	135	32.92	0.00	0.00	0.00
8	B_g	1066	1066	0.00	3.54	0.75	0.86
9	B_u	3021	3021	103.31	0.00	0.00	0.00
10	B_u	1700	1700	121.37	0.00	0.00	0.00
11	B_u	1327	1327	5.74	0.00	0.00	0.00
12	B_u	334	334	48.83	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.332	0.686
C2	0.332	-0.686
H3	-1.444	0.677
H4	1.444	-0.677
O5	0.332	1.715
O6	-0.332	-1.715

	C1	C2	H3	H4	O5	O6
C1		1.5238	1.1121	2.2389	1.2250	2.4004
C2	1.5238		2.2389	1.1121	2.4004	1.2250
H3	1.1121	2.2389		3.1901	2.0576	2.6374
H4	2.2389	1.1121	3.1901		2.6374	2.0576
O5	1.2250	2.4004	2.0576	2.6374		3.4932
O6	2.4004	1.2250	2.6374	2.0576	3.4932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.397	C1	C2	O6	121.290
C2	C1	H3	115.397	C2	C1	O5	121.290
H3	C1	O5	123.313	H4	C2	O6	123.313

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/daug-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: MP2/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)