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	hartrees
Energy at 0K	-266.488432
Energy at 298.15K	-266.492535
HF Energy	-265.674900
Nuclear repulsion energy	158.754746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3116	3.52
2	A'	3079	2984	0.14
3	A'	3015	2922	61.85
4	A'	1719	1666	30.54
5	A'	1712	1660	113.23
6	A'	1448	1403	15.17
7	A'	1386	1343	32.10
8	A'	1349	1307	1.18
9	A'	1272	1232	12.21
10	A'	1007	976	3.66
11	A'	807	782	11.32
12	A'	570	553	10.73
13	A'	479	464	25.51
14	A'	246	238	16.11
15	A"	3165	3068	1.68
16	A"	1458	1413	9.23
17	A"	1064	1031	2.76
18	A"	899	872	0.03
19	A"	463	448	0.36
20	A"	134	130	7.24
21	A"	105	102	16.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.841	-0.729	0.000
C2	0.000	0.552	0.000
C3	1.495	0.397	0.000
O4	-0.347	-1.849	0.000
O5	-0.599	1.626	0.000
H6	-1.939	-0.550	0.000
H7	1.971	1.385	0.000
H8	1.804	-0.184	0.883
H9	1.804	-0.184	-0.883

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5322	2.5938	1.2242	2.3677	1.1129	3.5177	2.8412	2.8412
C2	1.5322		1.5034	2.4255	1.2303	2.2305	2.1397	2.1386	2.1386
C3	2.5938	1.5034		2.9050	2.4285	3.5631	1.0959	1.1007	1.1007
O4	1.2242	2.4255	2.9050		3.4844	2.0554	3.9783	2.8597	2.8597
O5	2.3677	1.2303	2.4285	3.4844		2.5559	2.5812	3.1350	3.1350
H6	1.1129	2.2305	3.5631	2.0554	2.5559		4.3627	3.8635	3.8635
H7	3.5177	2.1397	1.0959	3.9783	2.5812	4.3627		1.8072	1.8072
H8	2.8412	2.1386	1.1007	2.8597	3.1350	3.8635	1.8072		1.7655
H9	2.8412	2.1386	1.1007	2.8597	3.1350	3.8635	1.8072	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.399	C1	C2	O5	117.569
C2	C1	O4	122.888	C2	C1	H6	114.033
C2	C3	H7	109.814	C2	C3	H8	109.445
C2	C3	H9	109.445	C3	C2	O5	125.032
O4	C1	H6	123.079	H7	C3	H8	110.718
H7	C3	H9	110.718	H8	C3	H9	106.641

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

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