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	hartrees
Energy at 0K	-266.742161
Energy at 298.15K	-266.746222
HF Energy	-265.736988
Nuclear repulsion energy	159.666653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3005
2	A'	3051	2894
3	A'	2974	2821
4	A'	1776	1684
5	A'	1761	1671
6	A'	1465	1390
7	A'	1397	1325
8	A'	1360	1290
9	A'	1265	1200
10	A'	1013	961
11	A'	791	751
12	A'	572	542
13	A'	477	453
14	A'	245	233
15	A"	3121	2960
16	A"	1472	1397
17	A"	1073	1018
18	A"	909	862
19	A"	462	439
20	A"	125	118
21	A"	91	86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.844	-0.724	0.000
C2	0.000	0.553	0.000
C3	1.495	0.385	0.000
O4	-0.358	-1.834	0.000
O5	-0.585	1.620	0.000
H6	-1.932	-0.537	0.000
H7	1.973	1.361	0.000
H8	1.799	-0.192	0.876
H9	1.799	-0.192	-0.876

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5308	2.5879	1.2113	2.3583	1.1042	3.5049	2.8346	2.8346
C2	1.5308		1.5040	2.4142	1.2164	2.2180	2.1323	2.1353	2.1353
C3	2.5879	1.5040		2.8911	2.4184	3.5481	1.0876	1.0920	1.0920
O4	1.2113	2.4142	2.8911		3.4614	2.0392	3.9559	2.8496	2.8496
O5	2.3583	1.2164	2.4184	3.4614		2.5426	2.5709	3.1197	3.1197
H6	1.1042	2.2180	3.5481	2.0392	2.5426		4.3418	3.8479	3.8479
H7	3.5049	2.1323	1.0876	3.9559	2.5709	4.3418		1.7917	1.7917
H8	2.8346	2.1353	1.0920	2.8496	3.1197	3.8479	1.7917		1.7516
H9	2.8346	2.1353	1.0920	2.8496	3.1197	3.8479	1.7917	1.7516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.015	C1	C2	O5	117.826
C2	C1	O4	122.954	C2	C1	H6	113.663
C2	C3	H7	109.681	C2	C3	H8	109.654
C2	C3	H9	109.654	C3	C2	O5	125.159
O4	C1	H6	123.383	H7	C3	H8	110.578
H7	C3	H9	110.578	H8	C3	H9	106.647

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

using model chemistry: QCISD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

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