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	hartrees
Energy at 0K	-266.381069
Energy at 298.15K	-266.385252
HF Energy	-265.638648
Nuclear repulsion energy	159.893029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3035	3.59
2	A'	3117	2926	0.15
3	A'	3066	2877	58.51
4	A'	1880	1765	23.03
5	A'	1868	1753	123.73
6	A'	1524	1430	14.15
7	A'	1460	1370	34.79
8	A'	1404	1318	3.89
9	A'	1317	1236	20.40
10	A'	1052	988	4.68
11	A'	823	773	10.02
12	A'	597	560	11.12
13	A'	497	467	29.76
14	A'	257	241	17.84
15	A"	3189	2994	2.44
16	A"	1523	1430	10.85
17	A"	1101	1033	3.47
18	A"	937	880	0.04
19	A"	476	447	0.51
20	A"	142	133	15.91
21	A"	109	102	7.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.847	-0.720	0.000
C2	0.000	0.548	0.000
C3	1.494	0.382	0.000
O4	-0.358	-1.827	0.000
O5	-0.582	1.615	0.000
H6	-1.937	-0.542	0.000
H7	1.968	1.364	0.000
H8	1.805	-0.191	0.879
H9	1.805	-0.191	-0.879

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5249	2.5871	1.2108	2.3495	1.1043	3.5020	2.8437	2.8437
C2	1.5249		1.5030	2.4023	1.2152	2.2226	2.1301	2.1393	2.1393
C3	2.5871	1.5030		2.8824	2.4146	3.5529	1.0902	1.0943	1.0943
O4	1.2108	2.4023	2.8824		3.4494	2.0362	3.9485	2.8513	2.8513
O5	2.3495	1.2152	2.4146	3.4494		2.5468	2.5626	3.1196	3.1196
H6	1.1043	2.2226	3.5529	2.0362	2.5468		4.3450	3.8599	3.8599
H7	3.5020	2.1301	1.0902	3.9485	2.5626	4.3450		1.7929	1.7929
H8	2.8437	2.1393	1.0943	2.8513	3.1196	3.8599	1.7929		1.7583
H9	2.8437	2.1393	1.0943	2.8513	3.1196	3.8599	1.7929	1.7583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.392	C1	C2	O5	117.619
C2	C1	O4	122.419	C2	C1	H6	114.477
C2	C3	H7	109.427	C2	C3	H8	109.916
C2	C3	H9	109.916	C3	C2	O5	124.989
O4	C1	H6	123.103	H7	C3	H8	110.321
H7	C3	H9	110.321	H8	C3	H9	106.912

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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