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	hartrees
Energy at 0K	-266.423522
Energy at 298.15K	-266.427627
HF Energy	-265.635658
Nuclear repulsion energy	158.945884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3182	3052
2	A'	3067	2942
3	A'	2993	2871
4	A'	1787	1714
5	A'	1767	1695
6	A'	1507	1446
7	A'	1437	1378
8	A'	1373	1317
9	A'	1289	1236
10	A'	1033	991
11	A'	802	770
12	A'	578	555
13	A'	483	463
14	A'	250	240
15	A"	3138	3010
16	A"	1506	1445
17	A"	1076	1032
18	A"	915	877
19	A"	462	443
20	A"	135	130
21	A"	111	106

Atom	x (Å)	y (Å)	z (Å)
C1	-0.849	-0.722	0.000
C2	0.000	0.551	0.000
C3	1.498	0.381	0.000
O4	-0.357	-1.841	0.000
O5	-0.586	1.629	0.000
H6	-1.944	-0.540	0.000
H7	1.977	1.364	0.000
H8	1.809	-0.194	0.882
H9	1.809	-0.194	-0.882

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5297	2.5934	1.2225	2.3648	1.1096	3.5124	2.8501	2.8501
C2	1.5297		1.5080	2.4179	1.2268	2.2288	2.1376	2.1462	2.1462
C3	2.5934	1.5080		2.8942	2.4294	3.5630	1.0940	1.0980	1.0980
O4	1.2225	2.4179	2.8942		3.4767	2.0519	3.9647	2.8604	2.8604
O5	2.3648	1.2268	2.4294	3.4767		2.5582	2.5762	3.1365	3.1365
H6	1.1096	2.2288	3.5630	2.0519	2.5582		4.3584	3.8707	3.8707
H7	3.5124	2.1376	1.0940	3.9647	2.5762	4.3584		1.7990	1.7990
H8	2.8501	2.1462	1.0980	2.8604	3.1365	3.8707	1.7990		1.7648
H9	2.8501	2.1462	1.0980	2.8604	3.1365	3.8707	1.7990	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.239	C1	C2	O5	117.745
C2	C1	O4	122.543	C2	C1	H6	114.284
C2	C3	H7	109.444	C2	C3	H8	109.896
C2	C3	H9	109.896	C3	C2	O5	125.016
O4	C1	H6	123.173	H7	C3	H8	110.309
H7	C3	H9	110.309	H8	C3	H9	106.959

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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