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	hartrees
Energy at 0K	-266.040155
Energy at 298.15K	-266.044313
HF Energy	-265.501454
Nuclear repulsion energy	156.908844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3033	5.40
2	A'	3074	2921	0.63
3	A'	3054	2902	62.57
4	A'	1613	1532	10.30
5	A'	1578	1499	25.22
6	A'	1536	1459	21.21
7	A'	1475	1401	28.17
8	A'	1374	1305	2.63
9	A'	1292	1227	22.13
10	A'	1050	998	2.52
11	A'	801	761	12.03
12	A'	583	554	9.94
13	A'	487	463	23.56
14	A'	256	243	18.19
15	A"	3152	2995	4.34
16	A"	1541	1464	12.12
17	A"	1098	1043	3.62
18	A"	927	881	0.28
19	A"	472	448	0.11
20	A"	145	138	19.10
21	A"	106	101	4.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.851	-0.720	0.000
C2	0.000	0.540	0.000
C3	1.504	0.394	0.000
O4	-0.346	-1.876	0.000
O5	-0.605	1.654	0.000
H6	-1.941	-0.552	0.000
H7	1.961	1.388	0.000
H8	1.834	-0.169	0.884
H9	1.834	-0.169	-0.884

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5206	2.6055	1.2616	2.3868	1.1025	3.5152	2.8802	2.8802
C2	1.5206		1.5113	2.4408	1.2676	2.2269	2.1370	2.1559	2.1559
C3	2.6055	1.5113		2.9285	2.4569	3.5725	1.0947	1.0986	1.0986
O4	1.2616	2.4408	2.9285		3.5396	2.0729	3.9977	2.9067	2.9067
O5	2.3868	1.2676	2.4569	3.5396		2.5789	2.5799	3.1705	3.1705
H6	1.1025	2.2269	3.5725	2.0729	2.5789		4.3580	3.8959	3.8959
H7	3.5152	2.1370	1.0947	3.9977	2.5799	4.3580		1.7953	1.7953
H8	2.8802	2.1559	1.0986	2.9067	3.1705	3.8959	1.7953		1.7682
H9	2.8802	2.1559	1.0986	2.9067	3.1705	3.8959	1.7953	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.487	C1	C2	O5	117.460
C2	C1	O4	122.357	C2	C1	H6	115.266
C2	C3	H7	109.128	C2	C3	H8	110.385
C2	C3	H9	110.385	C3	C2	O5	124.053
O4	C1	H6	122.377	H7	C3	H8	109.878
H7	C3	H9	109.878	H8	C3	H9	107.170

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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