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	hartrees
Energy at 0K	-264.686280
Energy at 298.15K	-264.690473
HF Energy	-264.138086
Nuclear repulsion energy	157.691400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3045	6.22
2	A'	3047	2953	0.75
3	A'	2970	2879	80.64
4	A'	1705	1653	17.00
5	A'	1658	1607	47.58
6	A'	1538	1490	15.30
7	A'	1461	1416	30.17
8	A'	1372	1329	4.81
9	A'	1215	1177	28.41
10	A'	1019	988	1.11
11	A'	756	733	12.92
12	A'	574	557	7.97
13	A'	466	451	18.92
14	A'	253	245	18.19
15	A"	3106	3010	4.40
16	A"	1553	1506	11.34
17	A"	1115	1081	4.04
18	A"	958	929	0.00
19	A"	501	485	0.01
20	A"	191	185	15.04
21	A"	91	88	2.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.867	-0.701	0.000
C2	0.000	0.568	0.000
C3	1.500	0.310	0.000
O4	-0.376	-1.842	0.000
O5	-0.554	1.682	0.000
H6	-1.951	-0.488	0.000
H7	2.040	1.263	0.000
H8	1.776	-0.278	0.886
H9	1.776	-0.278	-0.886

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5364	2.5739	1.2431	2.4035	1.1047	3.5079	2.8197	2.8197
C2	1.5364		1.5224	2.4394	1.2450	2.2187	2.1549	2.1579	2.1579
C3	2.5739	1.5224		2.8552	2.4711	3.5426	1.0955	1.0989	1.0989
O4	1.2431	2.4394	2.8552		3.5295	2.0773	3.9344	2.8042	2.8042
O5	2.4035	1.2450	2.4711	3.5295		2.5814	2.6276	3.1722	3.1722
H6	1.1047	2.2187	3.5426	2.0773	2.5814		4.3582	3.8371	3.8371
H7	3.5079	2.1549	1.0955	3.9344	2.6276	4.3582		1.7977	1.7977
H8	2.8197	2.1579	1.0989	2.8042	3.1722	3.8371	1.7977		1.7728
H9	2.8197	2.1579	1.0989	2.8042	3.1722	3.8371	1.7977	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	114.598	C1	C2	O5	119.200
C2	C1	O4	122.368	C2	C1	H6	113.283
C2	C3	H7	109.730	C2	C3	H8	109.763
C2	C3	H9	109.763	C3	C2	O5	126.203
O4	C1	H6	124.349	H7	C3	H8	110.012
H7	C3	H9	110.012	H8	C3	H9	107.530

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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