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	hartrees
Energy at 0K	-266.686476
Energy at 298.15K	-266.690560
HF Energy	-265.747775
Nuclear repulsion energy	159.953653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3062	2.57
2	A'	3091	2941	0.09
3	A'	3010	2864	63.72
4	A'	1745	1660	36.46
5	A'	1741	1657	101.00
6	A'	1469	1398	15.53
7	A'	1403	1335	33.66
8	A'	1365	1299	1.35
9	A'	1272	1211	15.80
10	A'	1013	964	3.53
11	A'	804	765	12.53
12	A'	573	546	10.49
13	A'	480	456	25.26
14	A'	247	235	15.75
15	A"	3170	3016	0.88
16	A"	1479	1407	10.11
17	A"	1079	1027	2.61
18	A"	910	866	0.08
19	A"	467	444	0.28
20	A"	133	127	13.46
21	A"	94	89	8.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.841	-0.726	0.000
C2	0.000	0.556	0.000
C3	1.490	0.380	0.000
O4	-0.365	-1.835	0.000
O5	-0.575	1.623	0.000
H6	-1.927	-0.529	0.000
H7	1.967	1.354	0.000
H8	1.793	-0.194	0.874
H9	1.793	-0.194	-0.874

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5332	2.5795	1.2070	2.3641	1.1038	3.4943	2.8257	2.8257
C2	1.5332		1.5000	2.4189	1.2122	2.2116	2.1227	2.1311	2.1311
C3	2.5795	1.5000		2.8887	2.4102	3.5354	1.0849	1.0888	1.0888
O4	1.2070	2.4189	2.8887		3.4647	2.0362	3.9506	2.8485	2.8485
O5	2.3641	1.2122	2.4102	3.4647		2.5416	2.5565	3.1103	3.1103
H6	1.1038	2.2116	3.5354	2.0362	2.5416		4.3255	3.8360	3.8360
H7	3.4943	2.1227	1.0849	3.9506	2.5565	4.3255		1.7861	1.7861
H8	2.8257	2.1311	1.0888	2.8485	3.1103	3.8360	1.7861		1.7484
H9	2.8257	2.1311	1.0888	2.8485	3.1103	3.8360	1.7861	1.7484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.508	C1	C2	O5	118.414
C2	C1	O4	123.511	C2	C1	H6	112.987
C2	C3	H7	109.361	C2	C3	H8	109.795
C2	C3	H9	109.795	C3	C2	O5	125.078
O4	C1	H6	123.502	H7	C3	H8	110.516
H7	C3	H9	110.516	H8	C3	H9	106.826

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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