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	hartrees
Energy at 0K
Energy at 298.15K	-0.093660
Nuclear repulsion energy	53.855943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3087	2943	0.63
2	A	2071	1975	47.13
3	A	1338	1276	2.26
4	A	1151	1098	11.36
5	A	892	850	4.55
6	A	470	449	0.10
7	A	39	37	26.45
8	B	3099	2955	2.14
9	B	2061	1965	252.18
10	B	1305	1245	42.17
11	B	1042	994	21.06
12	B	438	418	31.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.751	0.231
C2	0.000	-0.751	0.231
H3	0.872	1.224	0.734
H4	-0.872	-1.224	0.734
O5	-0.908	1.404	-0.276
O6	0.908	-1.404	-0.276

	C1	C2	H3	H4	O5	O6
C1		1.5027	1.1125	2.2172	1.2283	2.3937
C2	1.5027		2.2172	1.1125	2.3937	1.2283
H3	1.1125	2.2172		3.0057	2.0552	2.8163
H4	2.2172	1.1125	3.0057		2.8163	2.0552
O5	1.2283	2.3937	2.0552	2.8163		3.3453
O6	2.3937	1.2283	2.8163	2.0552	3.3453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.140	C1	C2	O6	122.125
C2	C1	H3	115.140	C2	C1	O5	122.125
H3	C1	O5	122.729	H4	C2	O6	122.729

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: AM1

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: AM1

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)