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	hartrees
Energy at 0K	-264.601386
Energy at 298.15K	-264.605710
HF Energy	-264.142569
Nuclear repulsion energy	159.358928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3015	4.68
2	A'	3144	2925	0.17
3	A'	3099	2883	66.61
4	A'	1828	1701	23.06
5	A'	1790	1665	63.29
6	A'	1578	1468	15.52
7	A'	1510	1405	34.96
8	A'	1424	1325	6.26
9	A'	1268	1180	29.54
10	A'	1064	990	2.10
11	A'	794	739	12.58
12	A'	605	562	9.17
13	A'	489	455	23.31
14	A'	266	247	20.02
15	A"	3202	2980	2.91
16	A"	1592	1482	12.99
17	A"	1164	1083	5.05
18	A"	1000	931	0.03
19	A"	524	488	0.04
20	A"	198	184	18.37
21	A"	98	91	2.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.858	-0.697	0.000
C2	0.000	0.561	0.000
C3	1.490	0.316	0.000
O4	-0.374	-1.822	0.000
O5	-0.553	1.657	0.000
H6	-1.934	-0.491	0.000
H7	2.020	1.266	0.000
H8	1.769	-0.267	0.880
H9	1.769	-0.267	-0.880

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5226	2.5571	1.2252	2.3738	1.0948	3.4836	2.8041	2.8041
C2	1.5226		1.5098	2.4121	1.2280	2.2009	2.1394	2.1423	2.1423
C3	2.5571	1.5098		2.8361	2.4439	3.5170	1.0879	1.0915	1.0915
O4	1.2252	2.4121	2.8361		3.4841	2.0507	3.9070	2.7903	2.7903
O5	2.3738	1.2280	2.4439	3.4841		2.5535	2.6025	3.1414	3.1414
H6	1.0948	2.2009	3.5170	2.0507	2.5535		4.3261	3.8124	3.8124
H7	3.4836	2.1394	1.0879	3.9070	2.6025	4.3261		1.7847	1.7847
H8	2.8041	2.1423	1.0915	2.7903	3.1414	3.8124	1.7847		1.7595
H9	2.8041	2.1423	1.0915	2.7903	3.1414	3.8124	1.7847	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	114.969	C1	C2	O5	118.931
C2	C1	O4	122.397	C2	C1	H6	113.461
C2	C3	H7	109.823	C2	C3	H8	109.833
C2	C3	H9	109.833	C3	C2	O5	126.101
O4	C1	H6	124.142	H7	C3	H8	109.953
H7	C3	H9	109.953	H8	C3	H9	107.412

All results from a given calculation for C₃H₄O₂ (Methyl glyoxal)

using model chemistry: CID/3-21G*

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 C3H4O2 (Methyl glyoxal)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for C₃H₄O₂ (Methyl glyoxal)