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	hartrees
Energy at 0K	-266.439409
Energy at 298.15K	-266.443494
HF Energy	-265.650298
Nuclear repulsion energy	159.268780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3069	2.96
2	A'	3132	2942	0.27
3	A'	3074	2887	57.30
4	A'	1742	1636	18.69
5	A'	1735	1629	116.76
6	A'	1507	1416	16.23
7	A'	1440	1353	31.69
8	A'	1386	1302	2.00
9	A'	1296	1217	16.32
10	A'	1039	975	3.10
11	A'	814	764	11.41
12	A'	580	545	11.10
13	A'	487	458	24.71
14	A'	251	236	16.51
15	A"	3222	3026	1.52
16	A"	1509	1417	10.81
17	A"	1082	1016	2.22
18	A"	923	866	0.02
19	A"	467	438	0.34
20	A"	122	115	17.23
21	A"	90	85	8.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.838	-0.726	0.000
C2	0.000	0.546	0.000
C3	1.490	0.399	0.000
O4	-0.342	-1.846	0.000
O5	-0.601	1.620	0.000
H6	-1.925	-0.555	0.000
H7	1.951	1.381	0.000
H8	1.803	-0.170	0.874
H9	1.803	-0.170	-0.874

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5232	2.5856	1.2250	2.3580	1.1004	3.4955	2.8375	2.8375
C2	1.5232		1.4972	2.4161	1.2310	2.2177	2.1223	2.1282	2.1282
C3	2.5856	1.4972		2.8970	2.4218	3.5458	1.0849	1.0891	1.0891
O4	1.2250	2.4161	2.8970		3.4757	2.0431	3.9582	2.8590	2.8590
O5	2.3580	1.2310	2.4218	3.4757		2.5462	2.5637	3.1227	3.1227
H6	1.1004	2.2177	3.5458	2.0431	2.5462		4.3328	3.8490	3.8490
H7	3.4955	2.1223	1.0849	3.9582	2.5637	4.3328		1.7862	1.7862
H8	2.8375	2.1282	1.0891	2.8590	3.1227	3.8490	1.7862		1.7486
H9	2.8375	2.1282	1.0891	2.8590	3.1227	3.8490	1.7862	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.742	C1	C2	O5	117.376
C2	C1	O4	122.703	C2	C1	H6	114.440
C2	C3	H7	109.520	C2	C3	H8	109.740
C2	C3	H9	109.740	C3	C2	O5	124.882
O4	C1	H6	122.857	H7	C3	H8	110.504
H7	C3	H9	110.504	H8	C3	H9	106.796

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

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

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/6-31+G**

States and conformations

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