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	hartrees
Energy at 0K	-227.206106
Energy at 298.15K	-227.208186
HF Energy	-226.589507
Nuclear repulsion energy	101.931127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3077	2887	0.00
2	A_g	1878	1762	0.00
3	A_g	1421	1333	0.00
4	A_g	1135	1065	0.00
5	A_g	585	549	0.00
6	A_u	834	783	2.19
7	A_u	155	146	33.64
8	B_g	1086	1019	0.00
9	B_u	3073	2883	97.61
10	B_u	1861	1747	124.55
11	B_u	1385	1300	10.93
12	B_u	345	324	55.49

Atom	x (Å)	y (Å)
C1	-0.331	0.682
C2	0.331	-0.682
H3	-1.435	0.673
H4	1.435	-0.673
O5	0.331	1.693
O6	-0.331	-1.693

	C1	C2	H3	H4	O5	O6
C1		1.5155	1.1039	2.2257	1.2087	2.3747
C2	1.5155		2.2257	1.1039	2.3747	1.2087
H3	1.1039	2.2257		3.1698	2.0391	2.6110
H4	2.2257	1.1039	3.1698		2.6110	2.0391
O5	1.2087	2.3747	2.0391	2.6110		3.4501
O6	2.3747	1.2087	2.6110	2.0391	3.4501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.459	C1	C2	O6	120.896
C2	C1	H3	115.459	C2	C1	O5	120.896
H3	C1	O5	123.645	H4	C2	O6	123.645

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)