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	hartrees
Energy at 0K	-266.583110
Energy at 298.15K
HF Energy	-265.666014
Nuclear repulsion energy	159.964837

Atom	x (Å)	y (Å)	z (Å)
C1	-0.846	-0.721	0.000
C2	0.000	0.556	0.000
C3	1.495	0.373	0.000
O4	-0.365	-1.826	0.000
O5	-0.576	1.620	0.000
H6	-1.934	-0.527	0.000
H7	1.987	1.344	0.000
H8	1.795	-0.206	0.877
H9	1.795	-0.206	-0.877

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5324	2.5840	1.2052	2.3563	1.1053	3.5057	2.8296	2.8296
C2	1.5324		1.5061	2.4107	1.2093	2.2169	2.1371	2.1380	2.1380
C3	2.5840	1.5061		2.8804	2.4175	3.5451	1.0888	1.0928	1.0928
O4	1.2052	2.4107	2.8804		3.4524	2.0371	3.9477	2.8387	2.8387
O5	2.3563	1.2093	2.4175	3.4524		2.5399	2.5777	3.1184	3.1184
H6	1.1053	2.2169	3.5451	2.0371	2.5399		4.3443	3.8438	3.8438
H7	3.5057	2.1371	1.0888	3.9477	2.5777	4.3443		1.7917	1.7917
H8	2.8296	2.1380	1.0928	2.8387	3.1184	3.8438	1.7917		1.7536
H9	2.8296	2.1380	1.0928	2.8387	3.1184	3.8438	1.7917	1.7536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.512	C1	C2	O5	118.023
C2	C1	O4	122.978	C2	C1	H6	113.391
C2	C3	H7	109.845	C2	C3	H8	109.684
C2	C3	H9	109.684	C3	C2	O5	125.464
O4	C1	H6	123.631	H7	C3	H8	110.432
H7	C3	H9	110.432	H8	C3	H9	106.713

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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