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	hartrees
Energy at 0K	-227.634951
Energy at 298.15K
HF Energy	-227.421558
Nuclear repulsion energy	101.461909

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	3029	3029	0.00	247.79	0.27	0.43
2	A_g	1780	1780	0.00	56.58	0.43	0.60
3	A_g	1391	1391	0.00	11.12	0.39	0.56
4	A_g	1093	1093	0.00	9.79	0.68	0.81
5	A_g	560	560	0.00	4.32	0.28	0.44
6	A_u	820	820	2.78	0.00	0.00	0.00
7	A_u	132	132	37.92	0.00	0.00	0.00
8	B_g	1074	1074	0.00	6.91	0.75	0.86
9	B_u	3025	3025	109.11	0.00	0.28	0.43
10	B_u	1765	1765	173.57	0.00	0.00	0.00
11	B_u	1351	1351	7.27	0.00	0.00	0.00
12	B_u	342	342	53.77	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.331	0.684
C2	0.331	-0.684
H3	-1.434	0.678
H4	1.434	-0.678
O5	0.331	1.704
O6	-0.331	-1.704

	C1	C2	H3	H4	O5	O6
C1		1.5199	1.1034	2.2295	1.2164	2.3885
C2	1.5199		2.2295	1.1034	2.3885	1.2164
H3	1.1034	2.2295		3.1727	2.0424	2.6251
H4	2.2295	1.1034	3.1727		2.6251	2.0424
O5	1.2164	2.3885	2.0424	2.6251		3.4725
O6	2.3885	1.2164	2.6251	2.0424	3.4725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.487	C1	C2	O6	121.196
C2	C1	H3	115.487	C2	C1	O5	121.196
H3	C1	O5	123.317	H4	C2	O6	123.317

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)