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	hartrees
Energy at 0K	-266.823324
Energy at 298.15K	-266.827425
HF Energy	-265.736677
Nuclear repulsion energy	159.970303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3173	3056
2	A'	3070	2956
3	A'	2978	2867
4	A'	1741	1676
5	A'	1724	1660
6	A'	1473	1419
7	A'	1400	1348
8	A'	1366	1316
9	A'	1267	1220
10	A'	1011	974
11	A'	797	768
12	A'	569	548
13	A'	475	457
14	A'	248	238
15	A"	3126	3010
16	A"	1482	1427
17	A"	1080	1040
18	A"	915	881
19	A"	471	454
20	A"	129	124
21	A"	103	100

Atom	x (Å)	y (Å)	z (Å)
C1	-0.838	-0.721	0.000
C2	0.000	0.552	0.000
C3	1.486	0.380	0.000
O4	-0.355	-1.834	0.000
O5	-0.584	1.622	0.000
H6	-1.922	-0.533	0.000
H7	1.970	1.350	0.000
H8	1.786	-0.197	0.873
H9	1.786	-0.197	-0.873

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5239	2.5714	1.2134	2.3563	1.0997	3.4888	2.8142	2.8142
C2	1.5239		1.4959	2.4120	1.2187	2.2069	2.1252	2.1243	2.1243
C3	2.5714	1.4959		2.8790	2.4137	3.5278	1.0841	1.0886	1.0886
O4	1.2134	2.4120	2.8790		3.4631	2.0363	3.9421	2.8321	2.8321
O5	2.3563	1.2187	2.4137	3.4631		2.5366	2.5678	3.1123	3.1123
H6	1.0997	2.2069	3.5278	2.0363	2.5366		4.3231	3.8236	3.8236
H7	3.4888	2.1252	1.0841	3.9421	2.5678	4.3231		1.7863	1.7863
H8	2.8142	2.1243	1.0886	2.8321	3.1123	3.8236	1.7863		1.7452
H9	2.8142	2.1243	1.0886	2.8321	3.1123	3.8236	1.7863	1.7452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.755	C1	C2	O5	118.019
C2	C1	O4	123.166	C2	C1	H6	113.547
C2	C3	H7	109.890	C2	C3	H8	109.556
C2	C3	H9	109.556	C3	C2	O5	125.226
O4	C1	H6	123.286	H7	C3	H8	110.603
H7	C3	H9	110.603	H8	C3	H9	106.571

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

using model chemistry: MP4=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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