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	hartrees
Energy at 0K	-266.483609
Energy at 298.15K	-266.487681
HF Energy	-265.657305
Nuclear repulsion energy	158.283120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3188	3083
2	A'	3065	2963
3	A'	2950	2852
4	A'	1748	1691
5	A'	1726	1669
6	A'	1448	1400
7	A'	1384	1339
8	A'	1342	1298
9	A'	1255	1214
10	A'	1002	969
11	A'	791	764
12	A'	563	545
13	A'	470	455
14	A'	243	235
15	A"	3149	3045
16	A"	1459	1411
17	A"	1064	1029
18	A"	901	871
19	A"	466	451
20	A"	146	141
21	A"	92	89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.851	-0.725	0.000
C2	0.000	0.561	0.000
C3	1.504	0.370	0.000
O4	-0.369	-1.848	0.000
O5	-0.578	1.644	0.000
H6	-1.954	-0.520	0.000
H7	2.004	1.352	0.000
H8	1.805	-0.217	0.887
H9	1.805	-0.217	-0.887

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5419	2.5967	1.2223	2.3840	1.1221	3.5307	2.8459	2.8459
C2	1.5419		1.5156	2.4371	1.2274	2.2330	2.1548	2.1564	2.1564
C3	2.5967	1.5156		2.9028	2.4405	3.5704	1.1019	1.1055	1.1055
O4	1.2223	2.4371	2.9028		3.4979	2.0684	3.9838	2.8588	2.8588
O5	2.3840	1.2274	2.4405	3.4979		2.5636	2.5994	3.1510	3.1510
H6	1.1221	2.2330	3.5704	2.0684	2.5636		4.3786	3.8742	3.8742
H7	3.5307	2.1548	1.1019	3.9838	2.5994	4.3786		1.8129	1.8129
H8	2.8459	2.1564	1.1055	2.8588	3.1510	3.8742	1.8129		1.7738
H9	2.8459	2.1564	1.1055	2.8588	3.1510	3.8742	1.8129	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.266	C1	C2	O5	118.389
C2	C1	O4	123.271	C2	C1	H6	112.956
C2	C3	H7	109.812	C2	C3	H8	109.717
C2	C3	H9	109.717	C3	C2	O5	125.345
O4	C1	H6	123.773	H7	C3	H8	110.427
H7	C3	H9	110.427	H8	C3	H9	106.691

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

using model chemistry: MP4/cc-pVDZ

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: MP4/cc-pVDZ

States and conformations

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