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	hartrees
Energy at 0K	-266.577804
Energy at 298.15K	-266.581969
HF Energy	-265.699714
Nuclear repulsion energy	159.615104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3049	4.01
2	A'	3095	2931	0.34
3	A'	3005	2846	83.05
4	A'	1766	1672	22.76
5	A'	1757	1664	97.63
6	A'	1500	1420	17.93
7	A'	1433	1357	43.64
8	A'	1377	1304	1.77
9	A'	1282	1214	17.47
10	A'	1031	976	3.40
11	A'	809	766	11.72
12	A'	582	552	10.76
13	A'	487	461	23.97
14	A'	253	240	15.72
15	A"	3177	3008	2.42
16	A"	1502	1423	13.25
17	A"	1089	1032	3.33
18	A"	926	877	0.12
19	A"	475	450	0.05
20	A"	143	135	13.14
21	A"	111	105	6.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.841	-0.724	0.000
C2	0.000	0.554	0.000
C3	1.491	0.383	0.000
O4	-0.358	-1.836	0.000
O5	-0.585	1.622	0.000
H6	-1.932	-0.538	0.000
H7	1.972	1.359	0.000
H8	1.801	-0.192	0.876
H9	1.801	-0.192	-0.876

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5296	2.5809	1.2129	2.3601	1.1074	3.5002	2.8336	2.8336
C2	1.5296		1.5008	2.4171	1.2182	2.2198	2.1303	2.1374	2.1374
C3	2.5809	1.5008		2.8883	2.4183	3.5451	1.0887	1.0925	1.0925
O4	1.2129	2.4171	2.8883		3.4664	2.0408	3.9548	2.8514	2.8514
O5	2.3601	1.2182	2.4183	3.4664		2.5463	2.5712	3.1235	3.1235
H6	1.1074	2.2198	3.5451	2.0408	2.5463		4.3413	3.8506	3.8506
H7	3.5002	2.1303	1.0887	3.9548	2.5712	4.3413		1.7898	1.7898
H8	2.8336	2.1374	1.0925	2.8514	3.1235	3.8506	1.7898		1.7512
H9	2.8336	2.1374	1.0925	2.8514	3.1235	3.8506	1.7898	1.7512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.781	C1	C2	O5	117.943
C2	C1	O4	123.195	C2	C1	H6	113.698
C2	C3	H7	109.680	C2	C3	H8	110.016
C2	C3	H9	110.016	C3	C2	O5	125.276
O4	C1	H6	123.107	H7	C3	H8	110.278
H7	C3	H9	110.278	H8	C3	H9	106.531

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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