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	hartrees
Energy at 0K	-264.605914
Energy at 298.15K	-264.610225
HF Energy	-264.142350
Nuclear repulsion energy	159.233597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3024	4.76
2	A'	3140	2934	0.18
3	A'	3091	2888	68.66
4	A'	1820	1700	22.62
5	A'	1780	1663	69.08
6	A'	1576	1473	15.82
7	A'	1508	1409	34.63
8	A'	1421	1328	6.14
9	A'	1264	1181	29.82
10	A'	1061	991	1.88
11	A'	790	738	12.77
12	A'	601	562	9.24
13	A'	487	455	23.04
14	A'	265	247	20.11
15	A"	3198	2989	2.92
16	A"	1591	1487	12.96
17	A"	1162	1086	4.97
18	A"	999	933	0.04
19	A"	523	489	0.04
20	A"	197	184	18.34
21	A"	95	89	2.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.859	-0.698	0.000
C2	0.000	0.562	0.000
C3	1.490	0.316	0.000
O4	-0.373	-1.824	0.000
O5	-0.554	1.659	0.000
H6	-1.934	-0.491	0.000
H7	2.022	1.265	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		1.5244	2.5582	1.2264	2.3764	1.0953	3.4854	2.8041	2.8041
C2	1.5244		1.5106	2.4148	1.2292	2.2020	2.1404	2.1428	2.1428
C3	2.5582	1.5106		2.8372	2.4465	3.5181	1.0880	1.0916	1.0916
O4	1.2264	2.4148	2.8372		3.4877	2.0528	3.9085	2.7901	2.7901
O5	2.3764	1.2292	2.4465	3.4877		2.5547	2.6058	3.1437	3.1437
H6	1.0953	2.2020	3.5181	2.0528	2.5547		4.3279	3.8127	3.8127
H7	3.4854	2.1404	1.0880	3.9085	2.6058	4.3279		1.7851	1.7851
H8	2.8041	2.1428	1.0916	2.7901	3.1437	3.8127	1.7851		1.7596
H9	2.8041	2.1428	1.0916	2.7901	3.1437	3.8127	1.7851	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	114.893	C1	C2	O5	118.927
C2	C1	O4	122.400	C2	C1	H6	113.386
C2	C3	H7	109.843	C2	C3	H8	109.811
C2	C3	H9	109.811	C3	C2	O5	126.180
O4	C1	H6	124.215	H7	C3	H8	109.971
H7	C3	H9	109.971	H8	C3	H9	107.400

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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