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	hartrees
Energy at 0K	-227.284345
Energy at 298.15K
HF Energy	-226.621981
Nuclear repulsion energy	100.917932

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	3033	2940	0.00	251.24	0.22	0.37
2	A_g	1718	1665	0.00	32.62	0.49	0.66
3	A_g	1367	1325	0.00	12.84	0.23	0.37
4	A_g	1106	1072	0.00	7.51	0.55	0.71
5	A_g	558	541	0.00	5.01	0.18	0.31
6	A_u	816	791	2.84	0.00	0.00	0.00
7	A_u	129	125	33.39	0.00	0.00	0.00
8	B_g	1061	1029	0.00	3.58	0.75	0.86
9	B_u	3029	2936	102.13	0.00	0.00	0.00
10	B_u	1702	1650	120.03	0.00	0.00	0.00
11	B_u	1326	1285	5.42	0.00	0.00	0.00
12	B_u	335	325	49.73	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.332	0.685
C2	0.332	-0.685
H3	-1.444	0.677
H4	1.444	-0.677
O5	0.332	1.714
O6	-0.332	-1.714

	C1	C2	H3	H4	O5	O6
C1		1.5222	1.1117	2.2373	1.2246	2.3991
C2	1.5222		2.2373	1.1117	2.3991	1.2246
H3	1.1117	2.2373		3.1884	2.0563	2.6365
H4	2.2373	1.1117	3.1884		2.6365	2.0563
O5	1.2246	2.3991	2.0563	2.6365		3.4919
O6	2.3991	1.2246	2.6365	2.0563	3.4919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.416	C1	C2	O6	121.331
C2	C1	H3	115.416	C2	C1	O5	121.331
H3	C1	O5	123.253	H4	C2	O6	123.253

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)