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	hartrees
Energy at 0K	-264.675142
Energy at 298.15K	-264.679397
HF Energy	-264.139488
Nuclear repulsion energy	158.161612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3065	6.19
2	A'	3059	2974	0.75
3	A'	3000	2917	71.26
4	A'	1739	1691	15.34
5	A'	1695	1648	25.39
6	A'	1545	1502	12.97
7	A'	1468	1427	30.57
8	A'	1386	1348	5.37
9	A'	1230	1196	27.66
10	A'	1031	1003	1.91
11	A'	770	748	12.11
12	A'	587	571	7.62
13	A'	474	461	19.98
14	A'	257	250	17.80
15	A"	3118	3031	4.65
16	A"	1558	1515	11.36
17	A"	1123	1092	4.28
18	A"	966	939	0.03
19	A"	506	492	0.00
20	A"	197	191	15.02
21	A"	100	98	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.866	-0.696	0.000
C2	0.000	0.563	0.000
C3	1.498	0.309	0.000
O4	-0.380	-1.836	0.000
O5	-0.549	1.676	0.000
H6	-1.949	-0.487	0.000
H7	2.035	1.264	0.000
H8	1.777	-0.277	0.886
H9	1.777	-0.277	-0.886

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5289	2.5695	1.2387	2.3932	1.1027	3.5011	2.8193	2.8193
C2	1.5289		1.5198	2.4289	1.2404	2.2144	2.1518	2.1563	2.1563
C3	2.5695	1.5198		2.8507	2.4616	3.5383	1.0950	1.0984	1.0984
O4	1.2387	2.4289	2.8507		3.5154	2.0687	3.9288	2.8047	2.8047
O5	2.3932	1.2404	2.4616	3.5154		2.5769	2.6164	3.1638	3.1638
H6	1.1027	2.2144	3.5383	2.0687	2.5769		4.3517	3.8359	3.8359
H7	3.5011	2.1518	1.0950	3.9288	2.6164	4.3517		1.7960	1.7960
H8	2.8193	2.1563	1.0984	2.8047	3.1638	3.8359	1.7960		1.7722
H9	2.8193	2.1563	1.0984	2.8047	3.1638	3.8359	1.7960	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	114.877	C1	C2	O5	119.216
C2	C1	O4	122.360	C2	C1	H6	113.601
C2	C3	H7	109.690	C2	C3	H8	109.848
C2	C3	H9	109.848	C3	C2	O5	125.907
O4	C1	H6	124.039	H7	C3	H8	109.932
H7	C3	H9	109.932	H8	C3	H9	107.563

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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