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	hartrees
Energy at 0K	-266.513597
Energy at 298.15K	-266.517749
HF Energy	-265.706001
Nuclear repulsion energy	159.502657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3055	4.14
2	A'	3090	2936	0.44
3	A'	2996	2847	86.03
4	A'	1763	1675	30.58
5	A'	1755	1667	89.23
6	A'	1478	1405	13.78
7	A'	1409	1339	35.76
8	A'	1375	1307	2.09
9	A'	1272	1208	17.53
10	A'	1020	969	2.81
11	A'	803	763	12.25
12	A'	578	549	10.68
13	A'	483	459	24.69
14	A'	252	239	15.02
15	A"	3173	3015	2.84
16	A"	1487	1413	10.67
17	A"	1081	1027	1.92
18	A"	918	872	0.15
19	A"	470	447	0.20
20	A"	143	136	11.76
21	A"	107	102	6.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.844	-0.723	0.000
C2	0.000	0.556	0.000
C3	1.494	0.377	0.000
O4	-0.361	-1.836	0.000
O5	-0.580	1.627	0.000
H6	-1.935	-0.530	0.000
H7	1.981	1.351	0.000
H8	1.794	-0.203	0.877
H9	1.794	-0.203	-0.877

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5322	2.5836	1.2130	2.3646	1.1081	3.5050	2.8285	2.8285
C2	1.5322		1.5043	2.4183	1.2183	2.2193	2.1348	2.1361	2.1361
C3	2.5836	1.5043		2.8867	2.4215	3.5470	1.0897	1.0936	1.0936
O4	1.2130	2.4183	2.8867		3.4693	2.0452	3.9548	2.8423	2.8423
O5	2.3646	1.2183	2.4215	3.4693		2.5476	2.5761	3.1231	3.1231
H6	1.1081	2.2193	3.5470	2.0452	2.5476		4.3451	3.8451	3.8451
H7	3.5050	2.1348	1.0897	3.9548	2.5761	4.3451		1.7945	1.7945
H8	2.8285	2.1361	1.0936	2.8423	3.1231	3.8451	1.7945		1.7549
H9	2.8285	2.1361	1.0936	2.8423	3.1231	3.8451	1.7945	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.603	C1	C2	O5	118.121
C2	C1	O4	123.082	C2	C1	H6	113.424
C2	C3	H7	109.737	C2	C3	H8	109.612
C2	C3	H9	109.612	C3	C2	O5	125.276
O4	C1	H6	123.494	H7	C3	H8	110.557
H7	C3	H9	110.557	H8	C3	H9	106.715

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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