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	hartrees
Energy at 0K	-265.967224
Energy at 298.15K	-265.971481
HF Energy	-265.508879
Nuclear repulsion energy	158.814934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3027	5.27
2	A'	3139	2936	45.55
3	A'	3126	2924	2.16
4	A'	1810	1692	11.80
5	A'	1779	1664	113.11
6	A'	1565	1463	17.80
7	A'	1511	1413	29.28
8	A'	1423	1331	5.44
9	A'	1333	1247	23.55
10	A'	1088	1018	3.56
11	A'	828	774	10.86
12	A'	611	571	11.88
13	A'	509	476	31.27
14	A'	265	248	20.36
15	A"	3196	2988	4.74
16	A"	1563	1462	13.15
17	A"	1134	1061	4.35
18	A"	962	900	0.14
19	A"	492	460	0.59
20	A"	145	136	23.55
21	A"	105	98	6.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.849	-0.719	0.000
C2	0.000	0.539	0.000
C3	1.498	0.392	0.000
O4	-0.353	-1.846	0.000
O5	-0.593	1.625	0.000
H6	-1.931	-0.550	0.000
H7	1.956	1.381	0.000
H8	1.826	-0.168	0.880
H9	1.826	-0.168	-0.880

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5173	2.5967	1.2319	2.3577	1.0954	3.5039	2.8694	2.8694
C2	1.5173		1.5053	2.4113	1.2376	2.2174	2.1297	2.1469	2.1469
C3	2.5967	1.5053		2.9048	2.4278	3.5567	1.0898	1.0938	1.0938
O4	1.2319	2.4113	2.9048		3.4798	2.0420	3.9685	2.8879	2.8879
O5	2.3577	1.2376	2.4278	3.4798		2.5543	2.5610	3.1374	3.1374
H6	1.0954	2.2174	3.5567	2.0420	2.5543		4.3410	3.8780	3.8780
H7	3.5039	2.1297	1.0898	3.9685	2.5610	4.3410		1.7867	1.7867
H8	2.8694	2.1469	1.0938	2.8879	3.1374	3.8780	1.7867		1.7607
H9	2.8694	2.1469	1.0938	2.8879	3.1374	3.8780	1.7867	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.426	C1	C2	O5	117.340
C2	C1	O4	122.243	C2	C1	H6	115.194
C2	C3	H7	109.254	C2	C3	H8	110.378
C2	C3	H9	110.378	C3	C2	O5	124.234
O4	C1	H6	122.564	H7	C3	H8	109.810
H7	C3	H9	109.810	H8	C3	H9	107.190

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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