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	hartrees
Energy at 0K	-266.369265
Energy at 298.15K	-266.373401
HF Energy	-265.635477
Nuclear repulsion energy	159.210515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3058	2.79
2	A'	3118	2940	0.05
3	A'	3043	2870	69.88
4	A'	1764	1664	22.79
5	A'	1751	1652	76.94
6	A'	1522	1435	15.25
7	A'	1450	1368	35.31
8	A'	1386	1307	2.24
9	A'	1303	1229	19.32
10	A'	1041	982	3.88
11	A'	816	769	11.28
12	A'	583	549	10.48
13	A'	486	458	25.32
14	A'	254	240	17.27
15	A"	3200	3018	1.36
16	A"	1526	1439	10.91
17	A"	1091	1029	3.33
18	A"	929	876	0.11
19	A"	470	443	0.29
20	A"	140	132	14.86
21	A"	107	101	5.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.845	-0.724	0.000
C2	0.000	0.558	0.000
C3	1.495	0.373	0.000
O4	-0.366	-1.843	0.000
O5	-0.577	1.635	0.000
H6	-1.936	-0.524	0.000
H7	1.977	1.351	0.000
H8	1.802	-0.201	0.879
H9	1.802	-0.201	-0.879

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5354	2.5846	1.2175	2.3745	1.1094	3.5032	2.8381	2.8381
C2	1.5354		1.5062	2.4285	1.2223	2.2179	2.1304	2.1438	2.1438
C3	2.5846	1.5062		2.8936	2.4260	3.5465	1.0902	1.0940	1.0940
O4	1.2175	2.4285	2.8936		3.4847	2.0514	3.9611	2.8579	2.8579
O5	2.3745	1.2223	2.4260	3.4847		2.5511	2.5702	3.1312	3.1312
H6	1.1094	2.2179	3.5465	2.0514	2.5511		4.3395	3.8539	3.8539
H7	3.5032	2.1304	1.0902	3.9611	2.5702	4.3395		1.7921	1.7921
H8	2.8381	2.1438	1.0940	2.8579	3.1312	3.8539	1.7921		1.7581
H9	2.8381	2.1438	1.0940	2.8579	3.1312	3.8539	1.7921	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.365	C1	C2	O5	118.423
C2	C1	O4	123.393	C2	C1	H6	112.993
C2	C3	H7	109.229	C2	C3	H8	110.061
C2	C3	H9	110.061	C3	C2	O5	125.212
O4	C1	H6	123.614	H7	C3	H8	110.269
H7	C3	H9	110.269	H8	C3	H9	106.932

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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