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	hartrees
Energy at 0K	-227.282508
Energy at 298.15K
HF Energy	-226.624591
Nuclear repulsion energy	101.348063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3028	2920	0.00
2	A_g	1821	1757	0.00
3	A_g	1383	1334	0.00
4	A_g	1111	1072	0.00
5	A_g	568	548	0.00
6	A_u	821	792	2.25
7	A_u	136	131	35.16
8	B_g	1074	1036	0.00
9	B_u	3025	2917	92.72
10	B_u	1798	1734	156.43
11	B_u	1341	1294	10.06
12	B_u	343	331	52.67

Atom	x (Å)	y (Å)
C1	-0.331	0.689
C2	0.331	-0.689
H3	-1.444	0.684
H4	1.444	-0.684
O5	0.331	1.706
O6	-0.331	-1.706

	C1	C2	H3	H4	O5	O6
C1		1.5289	1.1128	2.2442	1.2131	2.3946
C2	1.5289		2.2442	1.1128	2.3946	1.2131
H3	1.1128	2.2442		3.1957	2.0477	2.6362
H4	2.2442	1.1128	3.1957		2.6362	2.0477
O5	1.2131	2.3946	2.0477	2.6362		3.4747
O6	2.3946	1.2131	2.6362	2.0477	3.4747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.420	C1	C2	O6	121.259
C2	C1	H3	115.420	C2	C1	O5	121.259
H3	C1	O5	123.321	H4	C2	O6	123.321

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)