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	hartrees
Energy at 0K	-266.814429
Energy at 298.15K	-266.818577
HF Energy	-265.738111
Nuclear repulsion energy	160.387958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3174	3040
2	A'	3072	2943
3	A'	2999	2873
4	A'	1792	1717
5	A'	1778	1703
6	A'	1477	1415
7	A'	1407	1348
8	A'	1380	1322
9	A'	1277	1224
10	A'	1019	976
11	A'	803	769
12	A'	579	555
13	A'	482	462
14	A'	250	239
15	A"	3126	2994
16	A"	1484	1422
17	A"	1087	1042
18	A"	922	883
19	A"	475	455
20	A"	134	128
21	A"	109	105

Atom	x (Å)	y (Å)	z (Å)
C1	-0.840	-0.719	0.000
C2	0.000	0.550	0.000
C3	1.487	0.381	0.000
O4	-0.357	-1.826	0.000
O5	-0.581	1.614	0.000
H6	-1.922	-0.534	0.000
H7	1.964	1.354	0.000
H8	1.789	-0.194	0.873
H9	1.789	-0.194	-0.873

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5216	2.5732	1.2076	2.3472	1.0978	3.4870	2.8187	2.8187
C2	1.5216		1.4961	2.4024	1.2124	2.2058	2.1226	2.1249	2.1249
C3	2.5732	1.4961		2.8754	2.4073	3.5286	1.0837	1.0883	1.0883
O4	1.2076	2.4024	2.8754		3.4471	2.0296	3.9367	2.8331	2.8331
O5	2.3472	1.2124	2.4073	3.4471		2.5313	2.5589	3.1061	3.1061
H6	1.0978	2.2058	3.5286	2.0296	2.5313		4.3200	3.8266	3.8266
H7	3.4870	2.1226	1.0837	3.9367	2.5589	4.3200		1.7858	1.7858
H8	2.8187	2.1249	1.0883	2.8331	3.1061	3.8266	1.7858		1.7458
H9	2.8187	2.1249	1.0883	2.8331	3.1061	3.8266	1.7858	1.7458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.011	C1	C2	O5	117.867
C2	C1	O4	122.937	C2	C1	H6	113.751
C2	C3	H7	109.692	C2	C3	H8	109.604
C2	C3	H9	109.604	C3	C2	O5	125.122
O4	C1	H6	123.311	H7	C3	H8	110.614
H7	C3	H9	110.614	H8	C3	H9	106.662

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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