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	hartrees
Energy at 0K	-266.979158
Energy at 298.15K	-266.972519
HF Energy	-265.641391
Nuclear repulsion energy	161.387626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3139	8.91
2	A'	3225	3038	0.14
3	A'	3222	3036	67.32
4	A'	2050	1931	6.01
5	A'	2019	1902	306.80
6	A'	1604	1512	12.85
7	A'	1556	1466	23.26
8	A'	1490	1404	9.01
9	A'	1379	1299	28.19
10	A'	1118	1053	5.14
11	A'	848	799	10.95
12	A'	627	591	16.00
13	A'	526	496	37.98
14	A'	270	254	20.00
15	A"	3288	3098	7.55
16	A"	1611	1518	8.60
17	A"	1194	1125	2.18
18	A"	1014	955	0.62
19	A"	515	486	2.66
20	A"	143	135	20.60
21	A"	110	104	10.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.842	-0.719	0.000
C2	0.000	0.550	0.000
C3	1.489	0.379	0.000
O4	-0.350	-1.839	0.000
O5	-0.589	1.627	0.000
H6	-1.933	-0.537	0.000
H7	1.970	1.357	0.000
H8	1.798	-0.195	0.878
H9	1.798	-0.195	-0.878

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5224	2.5766	1.2229	2.3594	1.1062	3.4949	2.8303	2.8303
C2	1.5224		1.4988	2.4138	1.2279	2.2175	2.1287	2.1346	2.1346
C3	2.5766	1.4988		2.8814	2.4240	3.5426	1.0896	1.0935	1.0935
O4	1.2229	2.4138	2.8814		3.4738	2.0491	3.9491	2.8432	2.8432
O5	2.3594	1.2279	2.4240	3.4738		2.5473	2.5729	3.1285	3.1285
H6	1.1062	2.2175	3.5426	2.0491	2.5473		4.3380	3.8476	3.8476
H7	3.4949	2.1287	1.0896	3.9491	2.5729	4.3380		1.7918	1.7918
H8	2.8303	2.1346	1.0935	2.8432	3.1285	3.8476	1.7918		1.7555
H9	2.8303	2.1346	1.0935	2.8432	3.1285	3.8476	1.7918	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.559	C1	C2	O5	117.507
C2	C1	O4	122.695	C2	C1	H6	114.057
C2	C3	H7	109.482	C2	C3	H8	110.050
C2	C3	H9	110.050	C3	C2	O5	124.934
O4	C1	H6	123.248	H7	C3	H8	110.091
H7	C3	H9	110.091	H8	C3	H9	107.049

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

using model chemistry: G3

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: G3

States and conformations

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