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	hartrees
Energy at 0K	-266.551710
Energy at 298.15K	-266.555863
HF Energy	-265.730915
Nuclear repulsion energy	160.128866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3037	5.75
2	A'	3090	2929	0.94
3	A'	3034	2876	62.25
4	A'	1851	1755	9.01
5	A'	1838	1742	157.36
6	A'	1497	1419	12.49
7	A'	1440	1365	26.29
8	A'	1413	1339	3.58
9	A'	1285	1219	21.26
10	A'	1041	987	2.83
11	A'	805	763	10.77
12	A'	590	560	12.49
13	A'	498	473	25.83
14	A'	258	244	15.22
15	A"	3162	2998	5.11
16	A"	1491	1413	9.49
17	A"	1087	1031	1.26
18	A"	925	876	0.01
19	A"	465	441	1.08
20	A"	133	126	7.33
21	A"	97	92	16.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.845	-0.726	0.000
C2	0.000	0.552	0.000
C3	1.494	0.387	0.000
O4	-0.364	-1.828	0.000
O5	-0.579	1.612	0.000
H6	-1.932	-0.544	0.000
H7	1.968	1.365	0.000
H8	1.802	-0.184	0.877
H9	1.802	-0.184	-0.877

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5313	2.5899	1.2028	2.3527	1.1020	3.5051	2.8407	2.8407
C2	1.5313		1.5032	2.4075	1.2079	2.2209	2.1300	2.1353	2.1353
C3	2.5899	1.5032		2.8912	2.4076	3.5501	1.0873	1.0911	1.0911
O4	1.2028	2.4075	2.8912		3.4468	2.0264	3.9545	2.8574	2.8574
O5	2.3527	1.2079	2.4076	3.4468		2.5457	2.5589	3.1088	3.1088
H6	1.1020	2.2209	3.5501	2.0264	2.5457		4.3425	3.8526	3.8526
H7	3.5051	2.1300	1.0873	3.9545	2.5589	4.3425		1.7883	1.7883
H8	2.8407	2.1353	1.0911	2.8574	3.1088	3.8526	1.7883		1.7542
H9	2.8407	2.1353	1.0911	2.8574	3.1088	3.8526	1.7883	1.7542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.189	C1	C2	O5	117.907
C2	C1	O4	122.964	C2	C1	H6	114.009
C2	C3	H7	109.575	C2	C3	H8	109.767
C2	C3	H9	109.767	C3	C2	O5	124.905
O4	C1	H6	123.027	H7	C3	H8	110.352
H7	C3	H9	110.352	H8	C3	H9	106.994

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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