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	hartrees
Energy at 0K	-266.594933
Energy at 298.15K	-266.599017
HF Energy	-265.728625
Nuclear repulsion energy	159.389487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3178	3059
2	A'	3061	2947
3	A'	2991	2879
4	A'	1767	1701
5	A'	1753	1687
6	A'	1480	1424
7	A'	1419	1365
8	A'	1386	1334
9	A'	1262	1214
10	A'	1024	986
11	A'	788	759
12	A'	576	554
13	A'	486	468
14	A'	252	243
15	A"	3133	3015
16	A"	1474	1419
17	A"	1063	1023
18	A"	902	868
19	A"	450	433
20	A"	133	128
21	A"	93	90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.846	-0.727	0.000
C2	0.000	0.553	0.000
C3	1.498	0.387	0.000
O4	-0.360	-1.838	0.000
O5	-0.584	1.622	0.000
H6	-1.936	-0.543	0.000
H7	1.973	1.367	0.000
H8	1.805	-0.187	0.879
H9	1.805	-0.187	-0.879

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5339	2.5946	1.2130	2.3632	1.1050	3.5111	2.8440	2.8440
C2	1.5339		1.5068	2.4181	1.2182	2.2245	2.1341	2.1392	2.1392
C3	2.5946	1.5068		2.8986	2.4205	3.5570	1.0892	1.0934	1.0934
O4	1.2130	2.4181	2.8986		3.4674	2.0392	3.9643	2.8608	2.8608
O5	2.3632	1.2182	2.4205	3.4674		2.5526	2.5696	3.1226	3.1226
H6	1.1050	2.2245	3.5570	2.0392	2.5526		4.3503	3.8585	3.8585
H7	3.5111	2.1341	1.0892	3.9643	2.5696	4.3503		1.7931	1.7931
H8	2.8440	2.1392	1.0934	2.8608	3.1226	3.8585	1.7931		1.7572
H9	2.8440	2.1392	1.0934	2.8608	3.1226	3.8585	1.7931	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.140	C1	C2	O5	117.883
C2	C1	O4	122.928	C2	C1	H6	113.923
C2	C3	H7	109.538	C2	C3	H8	109.689
C2	C3	H9	109.689	C3	C2	O5	124.977
O4	C1	H6	123.149	H7	C3	H8	110.478
H7	C3	H9	110.478	H8	C3	H9	106.934

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

using model chemistry: CCSD(T)/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: CCSD(T)/TZVP

States and conformations

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