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	hartrees
Energy at 0K	-266.541530
Energy at 298.15K	-266.545557
HF Energy	-265.672915
Nuclear repulsion energy	157.916383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3188	3114
2	A'	3071	3000
3	A'	2978	2910
4	A'	1747	1707
5	A'	1723	1684
6	A'	1506	1472
7	A'	1434	1401
8	A'	1363	1332
9	A'	1282	1252
10	A'	1028	1004
11	A'	798	780
12	A'	570	556
13	A'	477	466
14	A'	248	242
15	A"	3146	3073
16	A"	1509	1474
17	A"	1075	1050
18	A"	913	892
19	A"	462	451
20	A"	135	132
21	A"	107	105

Atom	x (Å)	y (Å)	z (Å)
C1	-0.848	-0.733	0.000
C2	0.000	0.556	0.000
C3	1.505	0.396	0.000
O4	-0.354	-1.859	0.000
O5	-0.597	1.637	0.000
H6	-1.950	-0.549	0.000
H7	1.984	1.386	0.000
H8	1.814	-0.187	0.887
H9	1.814	-0.187	-0.887

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5432	2.6100	1.2285	2.3833	1.1181	3.5374	2.8584	2.8584
C2	1.5432		1.5140	2.4405	1.2345	2.2416	2.1510	2.1517	2.1517
C3	2.6100	1.5140		2.9223	2.4414	3.5826	1.1004	1.1053	1.1053
O4	1.2285	2.4405	2.9223		3.5037	2.0648	3.9998	2.8780	2.8780
O5	2.3833	1.2345	2.4414	3.5037		2.5706	2.5934	3.1505	3.1505
H6	1.1181	2.2416	3.5826	2.0648	2.5706		4.3848	3.8845	3.8845
H7	3.5374	2.1510	1.1004	3.9998	2.5934	4.3848		1.8142	1.8142
H8	2.8584	2.1517	1.1053	2.8780	3.1505	3.8845	1.8142		1.7743
H9	2.8584	2.1517	1.1053	2.8780	3.1505	3.8845	1.8142	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.231	C1	C2	O5	117.763
C2	C1	O4	123.005	C2	C1	H6	113.812
C2	C3	H7	109.708	C2	C3	H8	109.481
C2	C3	H9	109.481	C3	C2	O5	125.006
O4	C1	H6	123.183	H7	C3	H8	110.675
H7	C3	H9	110.675	H8	C3	H9	106.770

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

using model chemistry: MP4/aug-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/aug-cc-pVDZ

States and conformations

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