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	hartrees
Energy at 0K	-266.427596
Energy at 298.15K	-266.431676
HF Energy	-265.634280
Nuclear repulsion energy	158.620511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3188	3044
2	A'	3071	2932
3	A'	2978	2844
4	A'	1747	1668
5	A'	1723	1646
6	A'	1506	1438
7	A'	1434	1369
8	A'	1363	1301
9	A'	1282	1224
10	A'	1028	981
11	A'	798	762
12	A'	570	544
13	A'	477	455
14	A'	248	237
15	A"	3146	3003
16	A"	1509	1441
17	A"	1075	1026
18	A"	913	871
19	A"	462	441
20	A"	135	129
21	A"	107	103

Atom	x (Å)	y (Å)	z (Å)
C1	-0.847	-0.723	0.000
C2	0.000	0.554	0.000
C3	1.498	0.380	0.000
O4	-0.356	-1.847	0.000
O5	-0.588	1.635	0.000
H6	-1.943	-0.538	0.000
H7	1.980	1.362	0.000
H8	1.807	-0.196	0.882
H9	1.807	-0.196	-0.882

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5325	2.5914	1.2267	2.3729	1.1112	3.5129	2.8458	2.8458
C2	1.5325		1.5076	2.4270	1.2315	2.2287	2.1385	2.1457	2.1457
C3	2.5914	1.5076		2.8973	2.4346	3.5609	1.0940	1.0978	1.0978
O4	1.2267	2.4270	2.8973		3.4904	2.0574	3.9690	2.8599	2.8599
O5	2.3729	1.2315	2.4346	3.4904		2.5611	2.5828	3.1414	3.1414
H6	1.1112	2.2287	3.5609	2.0574	2.5611		4.3587	3.8670	3.8670
H7	3.5129	2.1385	1.0940	3.9690	2.5828	4.3587		1.7987	1.7987
H8	2.8458	2.1457	1.0978	2.8599	3.1414	3.8670	1.7987		1.7639
H9	2.8458	2.1457	1.0978	2.8599	3.1414	3.8670	1.7987	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.950	C1	C2	O5	117.894
C2	C1	O4	122.810	C2	C1	H6	113.974
C2	C3	H7	109.545	C2	C3	H8	109.884
C2	C3	H9	109.884	C3	C2	O5	125.156
O4	C1	H6	123.216	H7	C3	H8	110.298
H7	C3	H9	110.298	H8	C3	H9	106.900

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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