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	hartrees
Energy at 0K	-266.399579
Energy at 298.15K	-266.403708
HF Energy	-265.636996
Nuclear repulsion energy	159.244906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3044	5.15
2	A'	3083	2936	0.57
3	A'	3019	2875	69.56
4	A'	1832	1745	11.17
5	A'	1805	1719	146.50
6	A'	1514	1441	13.87
7	A'	1449	1380	30.74
8	A'	1385	1319	3.09
9	A'	1301	1239	20.80
10	A'	1042	993	3.73
11	A'	810	772	10.58
12	A'	584	556	11.50
13	A'	488	465	27.43
14	A'	254	242	17.44
15	A"	3154	3004	3.83
16	A"	1515	1442	10.01
17	A"	1090	1038	2.98
18	A"	927	883	0.08
19	A"	471	448	0.70
20	A"	135	128	14.27
21	A"	106	101	8.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.848	-0.723	0.000
C2	0.000	0.552	0.000
C3	1.496	0.382	0.000
O4	-0.357	-1.837	0.000
O5	-0.586	1.624	0.000
H6	-1.940	-0.542	0.000
H7	1.975	1.365	0.000
H8	1.807	-0.192	0.881
H9	1.807	-0.192	-0.881

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5315	2.5914	1.2174	2.3621	1.1078	3.5107	2.8471	2.8471
C2	1.5315		1.5058	2.4160	1.2217	2.2275	2.1354	2.1438	2.1438
C3	2.5914	1.5058		2.8913	2.4245	3.5586	1.0928	1.0966	1.0966
O4	1.2174	2.4160	2.8913		3.4691	2.0461	3.9608	2.8576	2.8576
O5	2.3621	1.2217	2.4245	3.4691		2.5546	2.5740	3.1307	3.1307
H6	1.1078	2.2275	3.5586	2.0461	2.5546		4.3547	3.8656	3.8656
H7	3.5107	2.1354	1.0928	3.9608	2.5740	4.3547		1.7963	1.7963
H8	2.8471	2.1438	1.0966	2.8576	3.1307	3.8656	1.7963		1.7624
H9	2.8471	2.1438	1.0966	2.8576	3.1307	3.8656	1.7963	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.117	C1	C2	O5	117.738
C2	C1	O4	122.619	C2	C1	H6	114.171
C2	C3	H7	109.498	C2	C3	H8	109.925
C2	C3	H9	109.925	C3	C2	O5	125.145
O4	C1	H6	123.211	H7	C3	H8	110.262
H7	C3	H9	110.262	H8	C3	H9	106.938

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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