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	hartrees
Energy at 0K	-266.431429
Energy at 298.15K	-266.435557
HF Energy	-265.644141
Nuclear repulsion energy	159.394322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3052	6.07
2	A'	3122	2939	0.93
3	A'	3056	2877	73.04
4	A'	1834	1727	9.73
5	A'	1807	1701	146.39
6	A'	1521	1431	11.61
7	A'	1452	1367	23.66
8	A'	1395	1313	3.88
9	A'	1300	1224	21.72
10	A'	1044	982	3.03
11	A'	809	762	10.69
12	A'	584	549	11.48
13	A'	487	459	27.73
14	A'	252	237	16.91
15	A"	3200	3012	4.96
16	A"	1525	1436	7.86
17	A"	1092	1028	1.93
18	A"	930	876	0.06
19	A"	470	442	1.01
20	A"	134	126	15.28
21	A"	100	94	6.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.848	-0.722	0.000
C2	0.000	0.552	0.000
C3	1.496	0.380	0.000
O4	-0.358	-1.836	0.000
O5	-0.583	1.625	0.000
H6	-1.934	-0.537	0.000
H7	1.974	1.355	0.000
H8	1.802	-0.192	0.877
H9	1.802	-0.192	-0.877

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5308	2.5900	1.2169	2.3624	1.1020	3.5042	2.8409	2.8409
C2	1.5308		1.5060	2.4154	1.2213	2.2198	2.1310	2.1374	2.1374
C3	2.5900	1.5060		2.8895	2.4239	3.5506	1.0865	1.0904	1.0904
O4	1.2169	2.4154	2.8895		3.4689	2.0426	3.9531	2.8529	2.8529
O5	2.3624	1.2213	2.4239	3.4689		2.5496	2.5713	3.1239	3.1239
H6	1.1020	2.2198	3.5506	2.0426	2.5496		4.3422	3.8529	3.8529
H7	3.5042	2.1310	1.0865	3.9531	2.5713	4.3422		1.7869	1.7869
H8	2.8409	2.1374	1.0904	2.8529	3.1239	3.8529	1.7869		1.7539
H9	2.8409	2.1374	1.0904	2.8529	3.1239	3.8529	1.7869	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.053	C1	C2	O5	117.838
C2	C1	O4	122.643	C2	C1	H6	113.954
C2	C3	H7	109.504	C2	C3	H8	109.785
C2	C3	H9	109.785	C3	C2	O5	125.109
O4	C1	H6	123.403	H7	C3	H8	110.333
H7	C3	H9	110.333	H8	C3	H9	107.070

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)