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	hartrees
Energy at 0K	-266.435410
Energy at 298.15K	-266.439538
HF Energy	-265.652865
Nuclear repulsion energy	159.582637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3058	4.79
2	A'	3124	2943	0.88
3	A'	3083	2905	52.52
4	A'	1847	1741	10.31
5	A'	1831	1726	162.81
6	A'	1516	1429	13.49
7	A'	1454	1370	25.74
8	A'	1403	1322	3.95
9	A'	1306	1231	18.91
10	A'	1050	990	3.26
11	A'	816	769	10.19
12	A'	590	556	11.88
13	A'	496	467	28.48
14	A'	254	239	16.75
15	A"	3203	3018	3.89
16	A"	1514	1426	9.30
17	A"	1092	1029	1.86
18	A"	931	877	0.05
19	A"	471	444	0.82
20	A"	125	118	16.51
21	A"	94	89	10.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.844	-0.727	0.000
C2	0.000	0.547	0.000
C3	1.496	0.398	0.000
O4	-0.353	-1.837	0.000
O5	-0.592	1.613	0.000
H6	-1.931	-0.555	0.000
H7	1.956	1.382	0.000
H8	1.811	-0.169	0.877
H9	1.811	-0.169	-0.877

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5290	2.5969	1.2141	2.3539	1.1001	3.5061	2.8515	2.8515
C2	1.5290		1.5037	2.4107	1.2191	2.2233	2.1269	2.1358	2.1358
C3	2.5969	1.5037		2.9006	2.4163	3.5570	1.0865	1.0905	1.0905
O4	1.2141	2.4107	2.9006		3.4587	2.0336	3.9618	2.8695	2.8695
O5	2.3539	1.2191	2.4163	3.4587		2.5479	2.5590	3.1176	3.1176
H6	1.1001	2.2233	3.5570	2.0336	2.5479		4.3430	3.8625	3.8625
H7	3.5061	2.1269	1.0865	3.9618	2.5590	4.3430		1.7876	1.7876
H8	2.8515	2.1358	1.0905	2.8695	3.1176	3.8625	1.7876		1.7540
H9	2.8515	2.1358	1.0905	2.8695	3.1176	3.8625	1.7876	1.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.804	C1	C2	O5	117.420
C2	C1	O4	122.591	C2	C1	H6	114.502
C2	C3	H7	109.341	C2	C3	H8	109.810
C2	C3	H9	109.810	C3	C2	O5	124.776
O4	C1	H6	122.907	H7	C3	H8	110.391
H7	C3	H9	110.391	H8	C3	H9	107.072

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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