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	hartrees
Energy at 0K	-266.454824
Energy at 298.15K	-266.458967
HF Energy	-265.660023
Nuclear repulsion energy	158.943374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3067	5.37
2	A'	3077	2952	1.46
3	A'	2990	2868	87.97
4	A'	1832	1758	8.27
5	A'	1806	1732	168.91
6	A'	1459	1400	12.34
7	A'	1404	1347	26.52
8	A'	1365	1310	2.85
9	A'	1276	1224	18.62
10	A'	1018	976	3.06
11	A'	803	771	11.14
12	A'	578	555	10.82
13	A'	482	463	26.19
14	A'	249	239	15.31
15	A"	3158	3030	4.14
16	A"	1469	1409	8.55
17	A"	1081	1037	1.85
18	A"	916	879	0.44
19	A"	475	456	0.57
20	A"	147	141	12.15
21	A"	101	97	6.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.852	-0.724	0.000
C2	0.000	0.559	0.000
C3	1.502	0.372	0.000
O4	-0.370	-1.837	0.000
O5	-0.574	1.632	0.000
H6	-1.953	-0.524	0.000
H7	1.999	1.353	0.000
H8	1.804	-0.213	0.887
H9	1.804	-0.213	-0.887

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5399	2.5965	1.2132	2.3727	1.1186	3.5279	2.8469	2.8469
C2	1.5399		1.5135	2.4243	1.2177	2.2328	2.1515	2.1535	2.1535
C3	2.5965	1.5135		2.8954	2.4291	3.5689	1.1005	1.1043	1.1043
O4	1.2132	2.4243	2.8954		3.4756	2.0566	3.9741	2.8553	2.8553
O5	2.3727	1.2177	2.4291	3.4756		2.5592	2.5889	3.1385	3.1385
H6	1.1186	2.2328	3.5689	2.0566	2.5592		4.3754	3.8729	3.8729
H7	3.5279	2.1515	1.1005	3.9741	2.5889	4.3754		1.8103	1.8103
H8	2.8469	2.1535	1.1043	2.8553	3.1385	3.8729	1.8103		1.7734
H9	2.8469	2.1535	1.1043	2.8553	3.1385	3.8729	1.8103	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.500	C1	C2	O5	118.256
C2	C1	O4	122.985	C2	C1	H6	113.298
C2	C3	H7	109.781	C2	C3	H8	109.711
C2	C3	H9	109.711	C3	C2	O5	125.244
O4	C1	H6	123.717	H7	C3	H8	110.383
H7	C3	H9	110.383	H8	C3	H9	106.826

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

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

States and conformations

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