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	hartrees
Energy at 0K	-266.422261
Energy at 298.15K	-266.426371
HF Energy	-265.635814
Nuclear repulsion energy	159.006559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3183	3062
2	A'	3068	2952
3	A'	2997	2884
4	A'	1790	1722
5	A'	1770	1703
6	A'	1507	1450
7	A'	1437	1383
8	A'	1375	1323
9	A'	1291	1242
10	A'	1034	995
11	A'	804	774
12	A'	580	558
13	A'	484	465
14	A'	250	241
15	A"	3139	3020
16	A"	1507	1450
17	A"	1077	1036
18	A"	916	881
19	A"	463	446
20	A"	136	131
21	A"	110	106

Atom	x (Å)	y (Å)	z (Å)
C1	-0.849	-0.721	0.000
C2	0.000	0.550	0.000
C3	1.498	0.381	0.000
O4	-0.357	-1.840	0.000
O5	-0.586	1.628	0.000
H6	-1.944	-0.539	0.000
H7	1.976	1.365	0.000
H8	1.809	-0.194	0.882
H9	1.809	-0.194	-0.882

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5288	2.5928	1.2220	2.3634	1.1093	3.5114	2.8499	2.8499
C2	1.5288		1.5076	2.4164	1.2263	2.2282	2.1370	2.1459	2.1459
C3	2.5928	1.5076		2.8932	2.4284	3.5624	1.0939	1.0979	1.0979
O4	1.2220	2.4164	2.8932		3.4748	2.0510	3.9635	2.8599	2.8599
O5	2.3634	1.2263	2.4284	3.4748		2.5574	2.5749	3.1355	3.1355
H6	1.1093	2.2282	3.5624	2.0510	2.5574		4.3573	3.8703	3.8703
H7	3.5114	2.1370	1.0939	3.9635	2.5749	4.3573		1.7988	1.7988
H8	2.8499	2.1459	1.0979	2.8599	3.1355	3.8703	1.7988		1.7646
H9	2.8499	2.1459	1.0979	2.8599	3.1355	3.8703	1.7988	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.278	C1	C2	O5	117.729
C2	C1	O4	122.517	C2	C1	H6	114.323
C2	C3	H7	109.428	C2	C3	H8	109.901
C2	C3	H9	109.901	C3	C2	O5	124.993
O4	C1	H6	123.160	H7	C3	H8	110.308
H7	C3	H9	110.308	H8	C3	H9	106.965

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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