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	hartrees
Energy at 0K	-266.395978
Energy at 298.15K	-266.400129
HF Energy	-265.637457
Nuclear repulsion energy	159.427284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3022	4.74
2	A'	3087	2915	0.49
3	A'	3029	2860	64.73
4	A'	1845	1742	13.40
5	A'	1822	1720	133.28
6	A'	1515	1431	13.67
7	A'	1451	1370	31.14
8	A'	1390	1313	3.33
9	A'	1306	1233	20.37
10	A'	1045	987	4.09
11	A'	814	769	10.16
12	A'	589	556	11.21
13	A'	491	464	28.13
14	A'	255	241	17.43
15	A"	3158	2982	3.60
16	A"	1516	1431	10.11
17	A"	1093	1032	3.07
18	A"	930	879	0.05
19	A"	473	446	0.63
20	A"	138	130	14.71
21	A"	108	102	7.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.848	-0.722	0.000
C2	0.000	0.551	0.000
C3	1.496	0.382	0.000
O4	-0.357	-1.834	0.000
O5	-0.585	1.621	0.000
H6	-1.940	-0.541	0.000
H7	1.973	1.364	0.000
H8	1.807	-0.192	0.881
H9	1.807	-0.192	-0.881

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5288	2.5901	1.2157	2.3579	1.1070	3.5081	2.8470	2.8470
C2	1.5288		1.5052	2.4115	1.2200	2.2260	2.1341	2.1431	2.1431
C3	2.5901	1.5052		2.8887	2.4217	3.5573	1.0925	1.0963	1.0963
O4	1.2157	2.4115	2.8887		3.4632	2.0435	3.9576	2.8567	2.8567
O5	2.3579	1.2200	2.4217	3.4632		2.5522	2.5703	3.1279	3.1279
H6	1.1070	2.2260	3.5573	2.0435	2.5522		4.3521	3.8650	3.8650
H7	3.5081	2.1341	1.0925	3.9576	2.5703	4.3521		1.7958	1.7958
H8	2.8470	2.1431	1.0963	2.8567	3.1279	3.8650	1.7958		1.7621
H9	2.8470	2.1431	1.0963	2.8567	3.1279	3.8650	1.7958	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.227	C1	C2	O5	117.698
C2	C1	O4	122.554	C2	C1	H6	114.286
C2	C3	H7	109.456	C2	C3	H8	109.941
C2	C3	H9	109.941	C3	C2	O5	125.075
O4	C1	H6	123.159	H7	C3	H8	110.258
H7	C3	H9	110.258	H8	C3	H9	106.958

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

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

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