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	hartrees
Energy at 0K	-227.764677
Energy at 298.15K
HF Energy	-227.495520
Nuclear repulsion energy	102.057282

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	2983	2851	0.00	261.57	0.26	0.41
2	A_g	1783	1704	0.00	44.38	0.59	0.74
3	A_g	1391	1330	0.00	13.22	0.35	0.52
4	A_g	1088	1040	0.00	9.80	0.71	0.83
5	A_g	559	534	0.00	4.66	0.30	0.46
6	A_u	832	795	1.06	0.00	0.00	0.00
7	A_u	135	129	30.78	0.00	0.00	0.00
8	B_g	1090	1042	0.00	6.71	0.75	0.86
9	B_u	2978	2846	132.60	0.00	0.00	0.00
10	B_u	1773	1694	158.39	0.00	0.00	0.00
11	B_u	1350	1290	5.23	0.00	0.00	0.00
12	B_u	336	321	51.01	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.327	0.684
C2	0.327	-0.684
H3	-1.428	0.669
H4	1.428	-0.669
O5	0.327	1.696
O6	-0.327	-1.696

	C1	C2	H3	H4	O5	O6
C1		1.5164	1.1013	2.2164	1.2054	2.3804
C2	1.5164		2.2164	1.1013	2.3804	1.2054
H3	1.1013	2.2164		3.1544	2.0340	2.6091
H4	2.2164	1.1013	3.1544		2.6091	2.0340
O5	1.2054	2.3804	2.0340	2.6091		3.4552
O6	2.3804	1.2054	2.6091	2.0340	3.4552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.781	C1	C2	O6	121.561
C2	C1	H3	114.781	C2	C1	O5	121.561
H3	C1	O5	123.658	H4	C2	O6	123.658

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)