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	hartrees
Energy at 0K	-266.529520
Energy at 298.15K	-266.533717
HF Energy	-265.708232
Nuclear repulsion energy	159.912984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3050	6.00
2	A'	3080	2941	1.03
3	A'	3009	2874	74.77
4	A'	1864	1780	15.95
5	A'	1849	1766	143.51
6	A'	1489	1422	12.09
7	A'	1428	1364	29.00
8	A'	1392	1330	4.24
9	A'	1285	1228	19.96
10	A'	1033	987	3.11
11	A'	807	771	10.93
12	A'	589	563	11.55
13	A'	493	471	28.34
14	A'	254	243	15.21
15	A"	3153	3012	5.48
16	A"	1494	1427	9.29
17	A"	1094	1045	1.71
18	A"	930	888	0.08
19	A"	477	456	0.55
20	A"	145	138	13.20
21	A"	111	106	7.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.850	-0.724	0.000
C2	0.000	0.555	0.000
C3	1.499	0.377	0.000
O4	-0.371	-1.826	0.000
O5	-0.572	1.617	0.000
H6	-1.940	-0.532	0.000
H7	1.983	1.355	0.000
H8	1.803	-0.200	0.880
H9	1.803	-0.200	-0.880

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5352	2.5936	1.2022	2.3574	1.1072	3.5132	2.8434	2.8434
C2	1.5352		1.5094	2.4099	1.2067	2.2242	2.1380	2.1433	2.1433
C3	2.5936	1.5094		2.8893	2.4141	3.5572	1.0912	1.0948	1.0948
O4	1.2022	2.4099	2.8893		3.4495	2.0342	3.9569	2.8538	2.8538
O5	2.3574	1.2067	2.4141	3.4495		2.5482	2.5683	3.1170	3.1170
H6	1.1072	2.2242	3.5572	2.0342	2.5482		4.3533	3.8595	3.8595
H7	3.5132	2.1380	1.0912	3.9569	2.5683	4.3533		1.7951	1.7951
H8	2.8434	2.1433	1.0948	2.8538	3.1170	3.8595	1.7951		1.7596
H9	2.8434	2.1433	1.0948	2.8538	3.1170	3.8595	1.7951	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.827	C1	C2	O5	118.090
C2	C1	O4	122.907	C2	C1	H6	113.656
C2	C3	H7	109.545	C2	C3	H8	109.750
C2	C3	H9	109.750	C3	C2	O5	125.083
O4	C1	H6	123.437	H7	C3	H8	110.406
H7	C3	H9	110.406	H8	C3	H9	106.947

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

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

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