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	hartrees
Energy at 0K	-266.276168
Energy at 298.15K	-266.280410
HF Energy	-265.640293
Nuclear repulsion energy	160.604786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3048	4.52
2	A'	3177	2941	0.28
3	A'	3138	2905	61.92
4	A'	1945	1801	7.03
5	A'	1921	1778	203.99
6	A'	1556	1441	14.24
7	A'	1500	1389	32.15
8	A'	1437	1330	4.88
9	A'	1345	1246	22.16
10	A'	1079	999	4.88
11	A'	838	776	10.52
12	A'	608	562	12.79
13	A'	508	470	32.02
14	A'	262	243	18.87
15	A"	3249	3008	3.18
16	A"	1559	1443	10.40
17	A"	1140	1055	3.07
18	A"	969	897	0.32
19	A"	493	457	1.16
20	A"	140	130	17.09
21	A"	108	100	9.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.843	-0.721	0.000
C2	0.000	0.548	0.000
C3	1.490	0.384	0.000
O4	-0.358	-1.820	0.000
O5	-0.581	1.605	0.000
H6	-1.927	-0.541	0.000
H7	1.963	1.360	0.000
H8	1.800	-0.185	0.875
H9	1.800	-0.185	-0.875

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5236	2.5810	1.2014	2.3408	1.0982	3.4932	2.8355	2.8355
C2	1.5236		1.4988	2.3953	1.2063	2.2132	2.1240	2.1319	2.1319
C3	2.5810	1.4988		2.8759	2.4045	3.5391	1.0849	1.0888	1.0888
O4	1.2014	2.3953	2.8759		3.4326	2.0237	3.9369	2.8455	2.8455
O5	2.3408	1.2063	2.4045	3.4326		2.5331	2.5559	3.1055	3.1055
H6	1.0982	2.2132	3.5391	2.0237	2.5331		4.3290	3.8447	3.8447
H7	3.4932	2.1240	1.0849	3.9369	2.5559	4.3290		1.7831	1.7831
H8	2.8355	2.1319	1.0888	2.8455	3.1055	3.8447	1.7831		1.7495
H9	2.8355	2.1319	1.0888	2.8455	3.1055	3.8447	1.7831	1.7495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.282	C1	C2	O5	117.598
C2	C1	O4	122.602	C2	C1	H6	114.175
C2	C3	H7	109.541	C2	C3	H8	109.945
C2	C3	H9	109.945	C3	C2	O5	125.120
O4	C1	H6	123.222	H7	C3	H8	110.230
H7	C3	H9	110.230	H8	C3	H9	106.917

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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