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	hartrees
Energy at 0K	-227.310397
Energy at 298.15K
HF Energy	-226.649481
Nuclear repulsion energy	101.986206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3020	2884	0.00
2	A_g	1860	1776	0.00
3	A_g	1414	1350	0.00
4	A_g	1106	1056	0.00
5	A_g	575	549	0.00
6	A_u	840	802	0.86
7	A_u	150	144	29.36
8	B_g	1087	1038	0.00
9	B_u	3015	2880	126.88
10	B_u	1839	1757	138.37
11	B_u	1367	1305	12.45
12	B_u	342	326	51.05

Atom	x (Å)	y (Å)
C1	-0.328	0.689
C2	0.328	-0.689
H3	-1.434	0.676
H4	1.434	-0.676
O5	0.328	1.696
O6	-0.328	-1.696

	C1	C2	H3	H4	O5	O6
C1		1.5260	1.1063	2.2288	1.2022	2.3853
C2	1.5260		2.2288	1.1063	2.3853	1.2022
H3	1.1063	2.2288		3.1709	2.0364	2.6174
H4	2.2288	1.1063	3.1709		2.6174	2.0364
O5	1.2022	2.3853	2.0364	2.6174		3.4556
O6	2.3853	1.2022	2.6174	2.0364	3.4556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.780	C1	C2	O6	121.472
C2	C1	H3	114.780	C2	C1	O5	121.472
H3	C1	O5	123.747	H4	C2	O6	123.747

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)