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	hartrees
Energy at 0K	-227.237881
Energy at 298.15K	-227.239955
HF Energy	-226.601283
Nuclear repulsion energy	101.931347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3116	2903	0.00
2	A_g	1868	1741	0.00
3	A_g	1431	1333	0.00
4	A_g	1134	1056	0.00
5	A_g	584	544	0.00
6	A_u	834	777	3.38
7	A_u	141	132	39.68
8	B_g	1091	1016	0.00
9	B_u	3113	2900	82.06
10	B_u	1849	1723	154.08
11	B_u	1390	1295	11.89
12	B_u	352	328	56.70

Atom	x (Å)	y (Å)
C1	-0.331	0.682
C2	0.331	-0.682
H3	-1.429	0.679
H4	1.429	-0.679
O5	0.331	1.694
O6	-0.331	-1.694

	C1	C2	H3	H4	O5	O6
C1		1.5168	1.0977	2.2245	1.2091	2.3765
C2	1.5168		2.2245	1.0977	2.3765	1.2091
H3	1.0977	2.2245		3.1633	2.0317	2.6143
H4	2.2245	1.0977	3.1633		2.6143	2.0317
O5	1.2091	2.3765	2.0317	2.6143		3.4523
O6	2.3765	1.2091	2.6143	2.0317	3.4523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.679	C1	C2	O6	120.928
C2	C1	H3	115.679	C2	C1	O5	120.928
H3	C1	O5	123.393	H4	C2	O6	123.393

All results from a given calculation for C₂H₂O₂ (Ethanedial)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)