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	hartrees
Energy at 0K	-227.327835
Energy at 298.15K
HF Energy	-226.667588
Nuclear repulsion energy	101.561995

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	3035	2877	0.00	246.06	0.25	0.40
2	A_g	1744	1653	0.00	25.62	0.57	0.72
3	A_g	1415	1341	0.00	14.43	0.39	0.56
4	A_g	1097	1040	0.00	8.16	0.62	0.77
5	A_g	562	533	0.00	5.04	0.32	0.49
6	A_u	823	780	1.52	0.00	0.00	0.00
7	A_u	128	121	31.93	0.00	0.00	0.00
8	B_g	1065	1010	0.00	7.27	0.75	0.86
9	B_u	3032	2875	119.19	0.00	0.25	0.40
10	B_u	1731	1641	110.37	0.00	0.57	0.73
11	B_u	1374	1303	7.45	0.00	0.00	0.00
12	B_u	342	325	48.49	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.329	0.684
C2	0.329	-0.684
H3	-1.431	0.674
H4	1.431	-0.674
O5	0.329	1.705
O6	-0.329	-1.705

	C1	C2	H3	H4	O5	O6
C1		1.5172	1.1021	2.2225	1.2149	2.3885
C2	1.5172		2.2225	1.1021	2.3885	1.2149
H3	1.1021	2.2225		3.1632	2.0397	2.6215
H4	2.2225	1.1021	3.1632		2.6215	2.0397
O5	1.2149	2.3885	2.0397	2.6215		3.4727
O6	2.3885	1.2149	2.6215	2.0397	3.4727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.186	C1	C2	O6	121.517
C2	C1	H3	115.186	C2	C1	O5	121.517
H3	C1	O5	123.297	H4	C2	O6	123.297

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)