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	hartrees
Energy at 0K	-50.490793
Energy at 298.15K	-50.494829
HF Energy	-50.021572
Nuclear repulsion energy	82.951730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3076	17.64
2	A'	3051	2948	65.35
3	A'	3048	2945	21.09
4	A'	1566	1513	12.73
5	A'	1526	1475	30.92
6	A'	1490	1440	25.68
7	A'	1452	1403	24.46
8	A'	1332	1287	1.85
9	A'	1274	1231	22.31
10	A'	1035	1000	2.66
11	A'	784	758	9.67
12	A'	563	544	9.85
13	A'	465	450	24.23
14	A'	237	229	17.67
15	A"	3147	3041	19.70
16	A"	1494	1444	14.81
17	A"	1082	1045	3.83
18	A"	893	863	1.73
19	A"	460	445	0.05
20	A"	137	132	25.61
21	A"	102	98	3.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.862	-0.746	0.000
C2	0.000	0.555	0.000
C3	1.533	0.419	0.000
O4	-0.346	-1.918	0.000
O5	-0.627	1.680	0.000
H6	-1.964	-0.578	0.000
H7	1.991	1.426	0.000
H8	1.864	-0.152	0.892
H9	1.864	-0.152	-0.892

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5602	2.6632	1.2809	2.4367	1.1148	3.5853	2.9293	2.9293
C2	1.5602		1.5392	2.4968	1.2878	2.2675	2.1730	2.1844	2.1844
C3	2.6632	1.5392		2.9985	2.5012	3.6366	1.1064	1.1097	1.1097
O4	1.2809	2.4968	2.9985		3.6086	2.1010	4.0795	2.9662	2.9662
O5	2.4367	1.2878	2.5012	3.6086		2.6240	2.6299	3.2185	3.2185
H6	1.1148	2.2675	3.6366	2.1010	2.6240		4.4337	3.9541	3.9541
H7	3.5853	2.1730	1.1064	4.0795	2.6299	4.4337		1.8174	1.8174
H8	2.9293	2.1844	1.1097	2.9662	3.2185	3.9541	1.8174		1.7840
H9	2.9293	2.1844	1.1097	2.9662	3.2185	3.9541	1.8174	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.467	C1	C2	O5	117.327
C2	C1	O4	122.698	C2	C1	H6	114.890
C2	C3	H7	109.353	C2	C3	H8	110.047
C2	C3	H9	110.047	C3	C2	O5	124.206
O4	C1	H6	122.412	H7	C3	H8	110.190
H7	C3	H9	110.190	H8	C3	H9	106.990

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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