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	hartrees
Energy at 0K	-266.683710
Energy at 298.15K	-266.687763
HF Energy	-265.728864
Nuclear repulsion energy	159.490078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3177	3037
2	A'	3060	2925
3	A'	2990	2859
4	A'	1769	1691
5	A'	1755	1678
6	A'	1480	1415
7	A'	1419	1356
8	A'	1387	1326
9	A'	1263	1207
10	A'	1025	979
11	A'	789	754
12	A'	577	551
13	A'	486	465
14	A'	254	242
15	A"	3132	2994
16	A"	1475	1410
17	A"	1064	1017
18	A"	903	863
19	A"	450	431
20	A"	119	114
21	A"	88	84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.845	-0.726	0.000
C2	0.000	0.553	0.000
C3	1.497	0.386	0.000
O4	-0.360	-1.837	0.000
O5	-0.583	1.621	0.000
H6	-1.934	-0.543	0.000
H7	1.972	1.365	0.000
H8	1.803	-0.188	0.878
H9	1.803	-0.188	-0.878

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5329	2.5927	1.2122	2.3619	1.1043	3.5089	2.8419	2.8419
C2	1.5329		1.5057	2.4166	1.2175	2.2230	2.1330	2.1378	2.1378
C3	2.5927	1.5057		2.8967	2.4190	3.5545	1.0886	1.0927	1.0927
O4	1.2122	2.4166	2.8967		3.4654	2.0379	3.9618	2.8588	2.8588
O5	2.3619	1.2175	2.4190	3.4654		2.5511	2.5683	3.1207	3.1207
H6	1.1043	2.2230	3.5545	2.0379	2.5511		4.3477	3.8559	3.8559
H7	3.5089	2.1330	1.0886	3.9618	2.5683	4.3477		1.7919	1.7919
H8	2.8419	2.1378	1.0927	2.8588	3.1207	3.8559	1.7919		1.7558
H9	2.8419	2.1378	1.0927	2.8588	3.1207	3.8559	1.7919	1.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.127	C1	C2	O5	117.893
C2	C1	O4	122.939	C2	C1	H6	113.917
C2	C3	H7	109.561	C2	C3	H8	109.698
C2	C3	H9	109.698	C3	C2	O5	124.980
O4	C1	H6	123.143	H7	C3	H8	110.467
H7	C3	H9	110.467	H8	C3	H9	106.913

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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