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	hartrees
Energy at 0K	-227.530372
Energy at 298.15K
HF Energy	-226.679406
Nuclear repulsion energy	102.062428

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	3017	3017	0.00	239.81	0.22	0.36
2	A_g	1757	1757	0.00	33.69	0.45	0.62
3	A_g	1385	1385	0.00	11.95	0.24	0.39
4	A_g	1110	1110	0.00	7.00	0.57	0.72
5	A_g	563	563	0.00	4.60	0.17	0.30
6	A_u	844	844	2.48	0.00	0.24	0.39
7	A_u	140	140	33.45	0.00	0.25	0.40
8	B_g	1101	1101	0.00	3.26	0.75	0.86
9	B_u	3011	3011	95.26	0.00	0.30	0.47
10	B_u	1747	1747	128.93	0.00	0.00	0.00
11	B_u	1342	1342	5.09	0.00	0.13	0.00
12	B_u	334	334	49.90	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.328	0.679
C2	0.328	-0.679
H3	-1.426	0.667
H4	1.426	-0.667
O5	0.328	1.695
O6	-0.328	-1.695

	C1	C2	H3	H4	O5	O6
C1		1.5084	1.0984	2.2113	1.2096	2.3745
C2	1.5084		2.2113	1.0984	2.3745	1.2096
H3	1.0984	2.2113		3.1492	2.0337	2.6051
H4	2.2113	1.0984	3.1492		2.6051	2.0337
O5	1.2096	2.3745	2.0337	2.6051		3.4536
O6	2.3745	1.2096	2.6051	2.0337	3.4536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.141	C1	C2	O6	121.374
C2	C1	H3	115.141	C2	C1	O5	121.374
H3	C1	O5	123.485	H4	C2	O6	123.485

All results from a given calculation for C₂H₂O₂ (Ethanedial)

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

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)