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	hartrees
Energy at 0K	-266.443405
Energy at 298.15K	-266.447595
HF Energy	-265.661134
Nuclear repulsion energy	159.321735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3068	4.86
2	A'	3085	2952	1.27
3	A'	3010	2880	77.68
4	A'	1867	1786	15.09
5	A'	1850	1769	138.09
6	A'	1463	1399	12.00
7	A'	1410	1349	28.00
8	A'	1378	1318	3.86
9	A'	1284	1229	18.23
10	A'	1023	979	3.68
11	A'	811	776	10.65
12	A'	587	562	10.45
13	A'	489	467	27.48
14	A'	252	241	15.27
15	A"	3168	3031	3.84
16	A"	1472	1408	8.64
17	A"	1089	1041	2.07
18	A"	922	883	0.34
19	A"	480	459	0.46
20	A"	153	147	12.69
21	A"	107	102	5.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.853	-0.722	0.000
C2	0.000	0.556	0.000
C3	1.501	0.370	0.000
O4	-0.373	-1.831	0.000
O5	-0.570	1.627	0.000
H6	-1.952	-0.524	0.000
H7	1.997	1.352	0.000
H8	1.805	-0.213	0.886
H9	1.805	-0.213	-0.886

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5361	2.5945	1.2086	2.3653	1.1172	3.5245	2.8475	2.8475
C2	1.5361		1.5124	2.4161	1.2131	2.2313	2.1500	2.1531	2.1531
C3	2.5945	1.5124		2.8908	2.4226	3.5672	1.1001	1.1039	1.1039
O4	1.2086	2.4161	2.8908		3.4634	2.0499	3.9686	2.8544	2.8544
O5	2.3653	1.2131	2.4226	3.4634		2.5566	2.5823	3.1327	3.1327
H6	1.1172	2.2313	3.5672	2.0499	2.5566		4.3725	3.8731	3.8731
H7	3.5245	2.1500	1.1001	3.9686	2.5823	4.3725		1.8089	1.8089
H8	2.8475	2.1531	1.1039	2.8544	3.1327	3.8731	1.8089		1.7729
H9	2.8475	2.1531	1.1039	2.8544	3.1327	3.8731	1.8089	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.653	C1	C2	O5	118.239
C2	C1	O4	122.904	C2	C1	H6	113.536
C2	C3	H7	109.756	C2	C3	H8	109.782
C2	C3	H9	109.782	C3	C2	O5	125.108
O4	C1	H6	123.560	H7	C3	H8	110.318
H7	C3	H9	110.318	H8	C3	H9	106.841

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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