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	hartrees
Energy at 0K	-266.447908
Energy at 298.15K	-266.451982
HF Energy	-265.651780
Nuclear repulsion energy	159.189794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3057	5.17
2	A'	3112	2943	1.03
3	A'	3064	2897	59.17
4	A'	1812	1713	8.00
5	A'	1786	1688	190.89
6	A'	1511	1429	14.31
7	A'	1448	1369	24.32
8	A'	1391	1315	3.25
9	A'	1296	1225	18.68
10	A'	1044	987	2.60
11	A'	807	763	10.65
12	A'	582	550	12.21
13	A'	490	463	26.83
14	A'	251	237	16.58
15	A"	3190	3016	4.17
16	A"	1510	1427	9.22
17	A"	1083	1024	1.70
18	A"	923	873	0.03
19	A"	466	440	0.97
20	A"	116	110	14.60
21	A"	88	83	12.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.844	-0.730	0.000
C2	0.000	0.549	0.000
C3	1.497	0.400	0.000
O4	-0.349	-1.844	0.000
O5	-0.597	1.618	0.000
H6	-1.932	-0.557	0.000
H7	1.958	1.385	0.000
H8	1.811	-0.168	0.877
H9	1.811	-0.168	-0.877

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5330	2.6000	1.2186	2.3611	1.1013	3.5106	2.8526	2.8526
C2	1.5330		1.5049	2.4187	1.2238	2.2260	2.1287	2.1366	2.1366
C3	2.6000	1.5049		2.9061	2.4226	3.5600	1.0871	1.0912	1.0912
O4	1.2186	2.4187	2.9061		3.4706	2.0397	3.9683	2.8720	2.8720
O5	2.3611	1.2238	2.4226	3.4706		2.5517	2.5654	3.1236	3.1236
H6	1.1013	2.2260	3.5600	2.0397	2.5517		4.3473	3.8641	3.8641
H7	3.5106	2.1287	1.0871	3.9683	2.5654	4.3473		1.7892	1.7892
H8	2.8526	2.1366	1.0912	2.8720	3.1236	3.8641	1.7892		1.7550
H9	2.8526	2.1366	1.0912	2.8720	3.1236	3.8641	1.7892	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.708	C1	C2	O5	117.402
C2	C1	O4	122.638	C2	C1	H6	114.350
C2	C3	H7	109.363	C2	C3	H8	109.750
C2	C3	H9	109.750	C3	C2	O5	124.891
O4	C1	H6	123.012	H7	C3	H8	110.446
H7	C3	H9	110.446	H8	C3	H9	107.057

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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