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	hartrees
Energy at 0K	-223.822431
Energy at 298.15K
HF Energy	-223.572494
Nuclear repulsion energy	97.666465

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	3299	2933	0.00	91.76	0.32	0.48
2	A_g	1743	1549	0.00	3.26	0.74	0.85
3	A_g	1460	1298	0.00	14.47	0.75	0.85
4	A_g	1080	960	0.00	8.18	0.37	0.54
5	A_g	554	492	0.00	4.05	0.46	0.63
6	A_u	780	693	2.07	0.00	0.00	0.00
7	A_u	141	126	8.16	0.00	0.00	0.00
8	B_g	1006	894	0.00	2.97	0.75	0.86
9	B_u	3301	2934	56.44	0.00	0.00	0.00
10	B_u	1676	1489	8.51	0.00	0.00	0.00
11	B_u	1427	1268	46.00	0.00	0.00	0.00
12	B_u	325	289	16.10	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.334	0.712
C2	0.334	-0.712
H3	-1.458	0.687
H4	1.458	-0.687
O5	0.334	1.787
O6	-0.334	-1.787

	C1	C2	H3	H4	O5	O6
C1		1.5719	1.1243	2.2728	1.2654	2.4983
C2	1.5719		2.2728	1.1243	2.4983	1.2654
H3	1.1243	2.2728		3.2231	2.1020	2.7172
H4	2.2728	1.1243	3.2231		2.7172	2.1020
O5	1.2654	2.4983	2.1020	2.7172		3.6352
O6	2.4983	1.2654	2.7172	2.1020	3.6352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.878	C1	C2	O6	123.043
C2	C1	H3	113.878	C2	C1	O5	123.043
H3	C1	O5	123.079	H4	C2	O6	123.079

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)