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	hartrees
Energy at 0K	-262.465091
Energy at 298.15K	-262.468805
HF Energy	-262.162557
Nuclear repulsion energy	154.091255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3562	3166	0.22
2	A'	3370	2996	0.05
3	A'	3290	2924	34.74
4	A'	1751	1557	5.15
5	A'	1705	1515	3.34
6	A'	1688	1500	8.97
7	A'	1581	1406	1.49
8	A'	1444	1283	24.43
9	A'	1296	1152	36.02
10	A'	1089	968	3.26
11	A'	809	719	4.96
12	A'	579	515	4.82
13	A'	460	409	11.68
14	A'	218	194	4.48
15	A"	3548	3153	0.18
16	A"	1706	1517	2.58
17	A"	1133	1007	2.49
18	A"	904	804	0.23
19	A"	454	403	0.04
20	A"	133	119	4.40
21	A"	76	67	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.895	-0.724	0.000
C2	0.000	0.579	0.000
C3	1.543	0.324	0.000
O4	-0.425	-1.898	0.000
O5	-0.529	1.730	0.000
H6	-1.999	-0.506	0.000
H7	2.090	1.282	0.000
H8	1.829	-0.258	0.893
H9	1.829	-0.258	-0.893

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5805	2.6534	1.2646	2.4807	1.1251	3.5960	2.9043	2.9043
C2	1.5805		1.5636	2.5132	1.2665	2.2746	2.2048	2.2008	2.2008
C3	2.6534	1.5636		2.9684	2.5036	3.6377	1.1030	1.1038	1.1038
O4	1.2646	2.5132	2.9684		3.6292	2.1004	4.0544	2.9275	2.9275
O5	2.4807	1.2665	2.5036	3.6292		2.6761	2.6568	3.2108	3.2108
H6	1.1251	2.2746	3.6377	2.1004	2.6761		4.4627	3.9386	3.9386
H7	3.5960	2.2048	1.1030	4.0544	2.6568	4.4627		1.7991	1.7991
H8	2.9043	2.2008	1.1038	2.9275	3.2108	3.9386	1.7991		1.7859
H9	2.9043	2.2008	1.1038	2.9275	3.2108	3.9386	1.7991	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	115.108	C1	C2	O5	120.823
C2	C1	O4	123.718	C2	C1	H6	113.357
C2	C3	H7	110.353	C2	C3	H8	109.998
C2	C3	H9	109.998	C3	C2	O5	124.069
O4	C1	H6	122.924	H7	C3	H8	109.226
H7	C3	H9	109.226	H8	C3	H9	107.995

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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