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	hartrees
Energy at 0K	-227.535709
Energy at 298.15K	-227.530545
HF Energy	-226.592177
Nuclear repulsion energy	103.254332

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	3230	3044	0.00	183.20	0.29	0.45
2	A_g	2055	1936	0.00	58.59	0.48	0.65
3	A_g	1506	1419	0.00	9.59	0.50	0.66
4	A_g	1188	1119	0.00	9.40	0.69	0.81
5	A_g	612	576	0.00	4.01	0.34	0.51
6	A_u	909	857	0.16	0.00	0.00	0.00
7	A_u	156	147	46.17	0.00	0.00	0.00
8	B_g	1197	1128	0.00	9.20	0.75	0.86
9	B_u	3228	3041	108.96	0.00	0.00	0.00
10	B_u	2015	1899	286.59	0.00	0.00	0.00
11	B_u	1465	1381	23.15	0.00	0.00	0.00
12	B_u	372	350	69.40	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.331	0.680
C2	0.331	-0.680
H3	-1.436	0.666
H4	1.436	-0.666
O5	0.331	1.708
O6	-0.331	-1.708

	C1	C2	H3	H4	O5	O6
C1		1.5126	1.1049	2.2219	1.2232	2.3876
C2	1.5126		2.2219	1.1049	2.3876	1.2232
H3	1.1049	2.2219		3.1666	2.0517	2.6185
H4	2.2219	1.1049	3.1666		2.6185	2.0517
O5	1.2232	2.3876	2.0517	2.6185		3.4792
O6	2.3876	1.2232	2.6185	2.0517	3.4792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.397	C1	C2	O6	121.008
C2	C1	H3	115.397	C2	C1	O5	121.008
H3	C1	O5	123.595	H4	C2	O6	123.595

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: G3MP2

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: G3MP2

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)