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	hartrees
Energy at 0K	-227.499065
Energy at 298.15K
HF Energy	-226.675397
Nuclear repulsion energy	102.087432

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	3038	2884	0.00	239.53	0.25	0.40
2	A_g	1766	1676	0.00	26.43	0.65	0.79
3	A_g	1406	1335	0.00	14.11	0.31	0.47
4	A_g	1117	1060	0.00	7.27	0.65	0.79
5	A_g	567	539	0.00	4.68	0.28	0.44
6	A_u	851	808	1.45	0.00	0.00	0.00
7	A_u	140	133	29.59	0.00	0.00	0.00
8	B_g	1101	1046	0.00	5.81	0.75	0.86
9	B_u	3035	2881	112.10	0.00	0.00	0.00
10	B_u	1751	1662	108.69	0.00	0.00	0.00
11	B_u	1365	1296	4.53	0.00	0.00	0.00
12	B_u	334	317	49.39	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.327	0.679
C2	0.327	-0.679
H3	-1.423	0.663
H4	1.423	-0.663
O5	0.327	1.697
O6	-0.327	-1.697

	C1	C2	H3	H4	O5	O6
C1		1.5068	1.0957	2.2051	1.2098	2.3752
C2	1.5068		2.2051	1.0957	2.3752	1.2098
H3	1.0957	2.2051		3.1394	2.0320	2.6017
H4	2.2051	1.0957	3.1394		2.6017	2.0320
O5	1.2098	2.3752	2.0320	2.6017		3.4555
O6	2.3752	1.2098	2.6017	2.0320	3.4555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.919	C1	C2	O6	121.550
C2	C1	H3	114.919	C2	C1	O5	121.550
H3	C1	O5	123.531	H4	C2	O6	123.531

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)