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	hartrees
Energy at 0K	-266.542354
Energy at 298.15K	-266.546504
HF Energy	-265.707227
Nuclear repulsion energy	159.516583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3036	6.60
2	A'	3071	2930	1.20
3	A'	2990	2852	84.24
4	A'	1828	1744	8.97
5	A'	1805	1722	173.61
6	A'	1484	1416	12.51
7	A'	1422	1357	27.47
8	A'	1380	1316	3.43
9	A'	1276	1217	20.06
10	A'	1028	980	2.49
11	A'	798	762	11.45
12	A'	580	554	11.98
13	A'	487	464	26.93
14	A'	252	240	15.21
15	A"	3142	2998	5.90
16	A"	1491	1423	9.15
17	A"	1087	1037	1.54
18	A"	923	880	0.12
19	A"	472	451	0.67
20	A"	138	131	12.06
21	A"	106	101	8.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.849	-0.726	0.000
C2	0.000	0.557	0.000
C3	1.500	0.378	0.000
O4	-0.368	-1.833	0.000
O5	-0.576	1.623	0.000
H6	-1.941	-0.533	0.000
H7	1.985	1.357	0.000
H8	1.803	-0.199	0.880
H9	1.803	-0.199	-0.880

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5393	2.5961	1.2067	2.3651	1.1085	3.5172	2.8435	2.8435
C2	1.5393		1.5106	2.4183	1.2113	2.2261	2.1396	2.1439	2.1439
C3	2.5961	1.5106		2.8945	2.4205	3.5594	1.0917	1.0954	1.0954
O4	1.2067	2.4183	2.8945		3.4620	2.0407	3.9631	2.8556	2.8556
O5	2.3651	1.2113	2.4205	3.4620		2.5514	2.5747	3.1230	3.1230
H6	1.1085	2.2261	3.5594	2.0407	2.5514		4.3566	3.8600	3.8600
H7	3.5172	2.1396	1.0917	3.9631	2.5747	4.3566		1.7967	1.7967
H8	2.8435	2.1439	1.0954	2.8556	3.1230	3.8600	1.7967		1.7603
H9	2.8435	2.1439	1.0954	2.8556	3.1230	3.8600	1.7967	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.689	C1	C2	O5	118.105
C2	C1	O4	122.987	C2	C1	H6	113.438
C2	C3	H7	109.561	C2	C3	H8	109.682
C2	C3	H9	109.682	C3	C2	O5	125.206
O4	C1	H6	123.576	H7	C3	H8	110.472
H7	C3	H9	110.472	H8	C3	H9	106.936

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

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

States and conformations

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