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	hartrees
Energy at 0K	-266.553110
Energy at 298.15K	-266.557228
HF Energy	-265.664519
Nuclear repulsion energy	159.883393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3063	1.79
2	A'	3114	2941	0.05
3	A'	3016	2848	64.66
4	A'	1773	1675	41.17
5	A'	1765	1667	73.28
6	A'	1481	1398	14.21
7	A'	1408	1330	35.02
8	A'	1371	1295	1.72
9	A'	1277	1206	17.62
10	A'	1018	961	4.47
11	A'	806	761	11.61
12	A'	574	542	9.31
13	A'	474	448	25.06
14	A'	245	232	16.20
15	A"	3200	3023	0.28
16	A"	1489	1406	9.27
17	A"	1087	1026	2.86
18	A"	919	868	0.63
19	A"	473	446	0.30
20	A"	146	138	12.25
21	A"	100	94	6.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.842	-0.718	0.000
C2	0.000	0.555	0.000
C3	1.489	0.370	0.000
O4	-0.358	-1.829	0.000
O5	-0.581	1.625	0.000
H6	-1.930	-0.524	0.000
H7	1.985	1.338	0.000
H8	1.786	-0.212	0.875
H9	1.786	-0.212	-0.875

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5256	2.5720	1.2122	2.3567	1.1059	3.4948	2.8149	2.8149
C2	1.5256		1.5005	2.4110	1.2170	2.2113	2.1336	2.1312	2.1312
C3	2.5720	1.5005		2.8723	2.4201	3.5343	1.0875	1.0917	1.0917
O4	1.2122	2.4110	2.8723		3.4610	2.0435	3.9398	2.8246	2.8246
O5	2.3567	1.2170	2.4201	3.4610		2.5372	2.5812	3.1204	3.1204
H6	1.1059	2.2113	3.5343	2.0435	2.5372		4.3352	3.8304	3.8304
H7	3.4948	2.1336	1.0875	3.9398	2.5812	4.3352		1.7908	1.7908
H8	2.8149	2.1312	1.0917	2.8246	3.1204	3.8304	1.7908		1.7493
H9	2.8149	2.1312	1.0917	2.8246	3.1204	3.8304	1.7908	1.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.404	C1	C2	O5	118.030
C2	C1	O4	123.024	C2	C1	H6	113.383
C2	C3	H7	110.038	C2	C3	H8	109.595
C2	C3	H9	109.595	C3	C2	O5	125.566
O4	C1	H6	123.593	H7	C3	H8	110.526
H7	C3	H9	110.526	H8	C3	H9	106.497

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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