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	hartrees
Energy at 0K	-266.400475
Energy at 298.15K	-266.404604
HF Energy	-265.642569
Nuclear repulsion energy	159.343216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3065	3.50
2	A'	3141	2942	0.19
3	A'	3062	2868	73.38
4	A'	1768	1656	22.12
5	A'	1755	1644	76.94
6	A'	1517	1421	12.80
7	A'	1443	1352	29.88
8	A'	1389	1301	2.69
9	A'	1299	1217	19.49
10	A'	1038	972	3.40
11	A'	814	763	11.40
12	A'	581	544	10.31
13	A'	483	453	25.63
14	A'	252	236	16.82
15	A"	3230	3025	2.10
16	A"	1524	1427	8.98
17	A"	1089	1020	2.35
18	A"	928	869	0.11
19	A"	468	438	0.46
20	A"	139	131	14.85
21	A"	99	93	5.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.843	-0.719	0.000
C2	0.000	0.550	0.000
C3	1.490	0.379	0.000
O4	-0.352	-1.840	0.000
O5	-0.588	1.629	0.000
H6	-1.930	-0.534	0.000
H7	1.970	1.352	0.000
H8	1.795	-0.194	0.875
H9	1.795	-0.194	-0.875

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5236	2.5787	1.2235	2.3617	1.1023	3.4932	2.8279	2.8279
C2	1.5236		1.5003	2.4154	1.2285	2.2134	2.1270	2.1309	2.1309
C3	2.5787	1.5003		2.8833	2.4254	3.5398	1.0854	1.0893	1.0893
O4	1.2235	2.4154	2.8833		3.4765	2.0480	3.9469	2.8422	2.8422
O5	2.3617	1.2285	2.4254	3.4765		2.5454	2.5727	3.1251	3.1251
H6	1.1023	2.2134	3.5398	2.0480	2.5454		4.3319	3.8407	3.8407
H7	3.4932	2.1270	1.0854	3.9469	2.5727	4.3319		1.7858	1.7858
H8	2.8279	2.1309	1.0893	2.8422	3.1251	3.8407	1.7858		1.7501
H9	2.8279	2.1309	1.0893	2.8422	3.1251	3.8407	1.7858	1.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.025	C1	C2	O5	117.823
C2	C1	O4	122.733	C2	C1	H6	113.934
C2	C3	H7	109.648	C2	C3	H8	109.720
C2	C3	H9	109.720	C3	C2	O5	125.152
O4	C1	H6	123.333	H7	C3	H8	110.408
H7	C3	H9	110.408	H8	C3	H9	106.896

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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