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	hartrees
Energy at 0K	-266.056961
Energy at 298.15K	-266.061086
HF Energy	-265.503541
Nuclear repulsion energy	157.068695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3022	6.76
2	A'	3028	2918	1.26
3	A'	3012	2902	58.43
4	A'	1682	1621	10.97
5	A'	1644	1585	84.37
6	A'	1523	1467	18.63
7	A'	1461	1408	24.54
8	A'	1366	1316	3.85
9	A'	1279	1232	22.46
10	A'	1046	1008	2.04
11	A'	790	762	11.08
12	A'	582	560	10.91
13	A'	487	469	26.16
14	A'	255	246	18.50
15	A"	3096	2983	6.47
16	A"	1522	1466	11.43
17	A"	1087	1048	3.34
18	A"	915	881	0.29
19	A"	467	450	0.45
20	A"	138	133	20.13
21	A"	103	100	5.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.857	-0.723	0.000
C2	0.000	0.543	0.000
C3	1.510	0.392	0.000
O4	-0.353	-1.869	0.000
O5	-0.598	1.649	0.000
H6	-1.950	-0.552	0.000
H7	1.971	1.389	0.000
H8	1.839	-0.173	0.888
H9	1.839	-0.173	-0.888

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5292	2.6161	1.2517	2.3858	1.1058	3.5293	2.8910	2.8910
C2	1.5292		1.5172	2.4381	1.2568	2.2362	2.1444	2.1638	2.1638
C3	2.6161	1.5172		2.9293	2.4543	3.5856	1.0984	1.1023	1.1023
O4	1.2517	2.4381	2.9293		3.5261	2.0694	4.0016	2.9101	2.9101
O5	2.3858	1.2568	2.4543	3.5261		2.5823	2.5824	3.1696	3.1696
H6	1.1058	2.2362	3.5856	2.0694	2.5823		4.3744	3.9093	3.9093
H7	3.5293	2.1444	1.0984	4.0016	2.5824	4.3744		1.8011	1.8011
H8	2.8910	2.1638	1.1023	2.9101	3.1696	3.9093	1.8011		1.7753
H9	2.8910	2.1638	1.1023	2.9101	3.1696	3.9093	1.8011	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.348	C1	C2	O5	117.479
C2	C1	O4	122.180	C2	C1	H6	115.184
C2	C3	H7	109.089	C2	C3	H8	110.383
C2	C3	H9	110.383	C3	C2	O5	124.173
O4	C1	H6	122.636	H7	C3	H8	109.852
H7	C3	H9	109.852	H8	C3	H9	107.267

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)