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	hartrees
Energy at 0K	-227.247842
Energy at 298.15K
HF Energy	-226.607748
Nuclear repulsion energy	101.229316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3002	2880	0.00
2	A_g	1832	1758	0.00
3	A_g	1385	1329	0.00
4	A_g	1100	1055	0.00
5	A_g	564	542	0.00
6	A_u	828	794	0.35
7	A_u	149	143	26.55
8	B_g	1078	1035	0.00
9	B_u	2993	2872	153.21
10	B_u	1798	1725	158.52
11	B_u	1338	1284	8.95
12	B_u	330	316	48.73

Atom	x (Å)	y (Å)
C1	-0.329	0.691
C2	0.329	-0.691
H3	-1.447	0.669
H4	1.447	-0.669
O5	0.329	1.710
O6	-0.329	-1.710

	C1	C2	H3	H4	O5	O6
C1		1.5309	1.1179	2.2366	1.2129	2.4010
C2	1.5309		2.2366	1.1179	2.4010	1.2129
H3	1.1179	2.2366		3.1875	2.0586	2.6280
H4	2.2366	1.1179	3.1875		2.6280	2.0586
O5	1.2129	2.4010	2.0586	2.6280		3.4826
O6	2.4010	1.2129	2.6280	2.0586	3.4826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.309	C1	C2	O6	121.672
C2	C1	H3	114.309	C2	C1	O5	121.672
H3	C1	O5	124.019	H4	C2	O6	124.019

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)