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	hartrees
Energy at 0K	-264.662792
Energy at 298.15K	-264.667012
HF Energy	-264.136502
Nuclear repulsion energy	157.603741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3057	4.95
2	A'	3101	2960	0.21
3	A'	3013	2876	87.52
4	A'	1642	1567	8.23
5	A'	1590	1518	20.60
6	A'	1552	1482	18.15
7	A'	1475	1408	34.81
8	A'	1382	1319	3.84
9	A'	1228	1172	28.88
10	A'	1023	977	1.67
11	A'	767	732	13.87
12	A'	576	550	7.34
13	A'	467	446	17.13
14	A'	254	242	18.32
15	A"	3167	3023	2.63
16	A"	1575	1503	12.03
17	A"	1131	1080	4.28
18	A"	975	930	0.01
19	A"	509	486	0.02
20	A"	198	189	13.50
21	A"	89	85	2.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.862	-0.698	0.000
C2	0.000	0.565	0.000
C3	1.495	0.310	0.000
O4	-0.369	-1.848	0.000
O5	-0.559	1.687	0.000
H6	-1.943	-0.486	0.000
H7	2.031	1.261	0.000
H8	1.770	-0.276	0.883
H9	1.770	-0.276	-0.883

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5291	2.5629	1.2513	2.4044	1.1017	3.4934	2.8078	2.8078
C2	1.5291		1.5164	2.4416	1.2538	2.2089	2.1467	2.1498	2.1498
C3	2.5629	1.5164		2.8518	2.4732	3.5284	1.0917	1.0951	1.0951
O4	1.2513	2.4416	2.8518		3.5408	2.0812	3.9279	2.7977	2.7977
O5	2.4044	1.2538	2.4732	3.5408		2.5763	2.6251	3.1723	3.1723
H6	1.1017	2.2089	3.5284	2.0812	2.5763		4.3407	3.8222	3.8222
H7	3.4934	2.1467	1.0917	3.9279	2.6251	4.3407		1.7920	1.7920
H8	2.8078	2.1498	1.0951	2.7977	3.1723	3.8222	1.7920		1.7657
H9	2.8078	2.1498	1.0951	2.7977	3.1723	3.8222	1.7920	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	114.607	C1	C2	O5	119.208
C2	C1	O4	122.530	C2	C1	H6	113.206
C2	C3	H7	109.717	C2	C3	H8	109.761
C2	C3	H9	109.761	C3	C2	O5	126.185
O4	C1	H6	124.263	H7	C3	H8	110.062
H7	C3	H9	110.062	H8	C3	H9	107.447

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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