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	hartrees
Energy at 0K	-266.421013
Energy at 298.15K	-266.425155
HF Energy	-265.642885
Nuclear repulsion energy	159.510423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3062	3.38
2	A'	3144	2938	0.17
3	A'	3065	2864	73.09
4	A'	1773	1657	23.12
5	A'	1760	1644	76.35
6	A'	1519	1419	12.86
7	A'	1446	1351	30.71
8	A'	1391	1300	2.63
9	A'	1301	1215	19.28
10	A'	1039	971	3.46
11	A'	816	762	11.40
12	A'	582	544	10.34
13	A'	484	453	25.51
14	A'	252	236	16.87
15	A"	3234	3022	1.97
16	A"	1526	1426	9.14
17	A"	1093	1022	2.41
18	A"	932	871	0.13
19	A"	472	441	0.45
20	A"	142	132	15.07
21	A"	101	94	5.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.842	-0.718	0.000
C2	0.000	0.550	0.000
C3	1.488	0.377	0.000
O4	-0.351	-1.838	0.000
O5	-0.587	1.628	0.000
H6	-1.927	-0.533	0.000
H7	1.969	1.349	0.000
H8	1.792	-0.196	0.874
H9	1.792	-0.196	-0.874

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5218	2.5747	1.2224	2.3596	1.1014	3.4890	2.8233	2.8233
C2	1.5218		1.4984	2.4133	1.2274	2.2108	2.1251	2.1283	2.1283
C3	2.5747	1.4984		2.8793	2.4231	3.5351	1.0842	1.0882	1.0882
O4	1.2224	2.4133	2.8793		3.4736	2.0461	3.9420	2.8375	2.8375
O5	2.3596	1.2274	2.4231	3.4736		2.5429	2.5711	3.1220	3.1220
H6	1.1014	2.2108	3.5351	2.0461	2.5429		4.3273	3.8352	3.8352
H7	3.4890	2.1251	1.0842	3.9420	2.5711	4.3273		1.7839	1.7839
H8	2.8233	2.1283	1.0882	2.8375	3.1220	3.8352	1.7839		1.7479
H9	2.8233	2.1283	1.0882	2.8375	3.1220	3.8352	1.7839	1.7479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.965	C1	C2	O5	117.854
C2	C1	O4	122.764	C2	C1	H6	113.913
C2	C3	H7	109.696	C2	C3	H8	109.719
C2	C3	H9	109.719	C3	C2	O5	125.181
O4	C1	H6	123.323	H7	C3	H8	110.402
H7	C3	H9	110.402	H8	C3	H9	106.860

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

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

States and conformations

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