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	hartrees
Energy at 0K	-266.751278
Energy at 298.15K	-266.755451
HF Energy	-265.737588
Nuclear repulsion energy	160.591986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3058	2.48
2	A'	3106	2949	0.07
3	A'	3025	2871	66.50
4	A'	1765	1676	30.29
5	A'	1759	1670	99.43
6	A'	1481	1406	15.77
7	A'	1409	1337	37.57
8	A'	1383	1313	0.69
9	A'	1285	1220	13.33
10	A'	1020	968	3.65
11	A'	814	773	12.72
12	A'	581	551	10.33
13	A'	484	459	25.26
14	A'	252	239	16.00
15	A"	3172	3011	0.89
16	A"	1490	1415	10.08
17	A"	1093	1038	2.66
18	A"	925	878	0.30
19	A"	479	455	0.24
20	A"	140	133	9.30
21	A"	109	104	11.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.833	-0.718	0.000
C2	0.000	0.549	0.000
C3	1.479	0.383	0.000
O4	-0.349	-1.827	0.000
O5	-0.586	1.613	0.000
H6	-1.915	-0.534	0.000
H7	1.960	1.351	0.000
H8	1.780	-0.194	0.870
H9	1.780	-0.194	-0.870

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5163	2.5611	1.2096	2.3446	1.0968	3.4760	2.8033	2.8033
C2	1.5163		1.4884	2.4009	1.2152	2.1996	2.1176	2.1153	2.1153
C3	2.5611	1.4884		2.8678	2.4039	3.5154	1.0810	1.0857	1.0857
O4	1.2096	2.4009	2.8678		3.4482	2.0300	3.9280	2.8204	2.8204
O5	2.3446	1.2152	2.4039	3.4482		2.5254	2.5590	3.1011	3.1011
H6	1.0968	2.1996	3.5154	2.0300	2.5254		4.3086	3.8104	3.8104
H7	3.4760	2.1176	1.0810	3.9280	2.5590	4.3086		1.7818	1.7818
H8	2.8033	2.1153	1.0857	2.8204	3.1011	3.8104	1.7818		1.7393
H9	2.8033	2.1153	1.0857	2.8204	3.1011	3.8104	1.7818	1.7393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.934	C1	C2	O5	117.844
C2	C1	O4	123.072	C2	C1	H6	113.682
C2	C3	H7	109.992	C2	C3	H8	109.525
C2	C3	H9	109.525	C3	C2	O5	125.222
O4	C1	H6	123.246	H7	C3	H8	110.640
H7	C3	H9	110.640	H8	C3	H9	106.450

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

using model chemistry: MP2=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: MP2=FULL/cc-pVTZ

States and conformations

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