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	hartrees
Energy at 0K	-266.857894
Energy at 298.15K
HF Energy	-265.740146
Nuclear repulsion energy	159.928428

Atom	x (Å)	y (Å)	z (Å)
C1	-0.835	-0.724	0.000
C2	0.000	0.551	0.000
C3	1.486	0.390	0.000
O4	-0.347	-1.836	0.000
O5	-0.594	1.616	0.000
H6	-1.920	-0.540	0.000
H7	1.965	1.365	0.000
H8	1.789	-0.187	0.875
H9	1.789	-0.187	-0.875

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5242	2.5739	1.2137	2.3529	1.1007	3.4931	2.8170	2.8170
C2	1.5242		1.4944	2.4121	1.2194	2.2082	2.1268	2.1235	2.1235
C3	2.5739	1.4944		2.8833	2.4141	3.5301	1.0863	1.0907	1.0907
O4	1.2137	2.4121	2.8833		3.4609	2.0376	3.9484	2.8367	2.8367
O5	2.3529	1.2194	2.4141	3.4609		2.5315	2.5711	3.1131	3.1131
H6	1.1007	2.2082	3.5301	2.0376	2.5315		4.3267	3.8265	3.8265
H7	3.4931	2.1268	1.0863	3.9484	2.5711	4.3267		1.7898	1.7898
H8	2.8170	2.1235	1.0907	2.8367	3.1131	3.8265	1.7898		1.7498
H9	2.8170	2.1235	1.0907	2.8367	3.1131	3.8265	1.7898	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.003	C1	C2	O5	117.669
C2	C1	O4	123.126	C2	C1	H6	113.567
C2	C3	H7	109.991	C2	C3	H8	109.462
C2	C3	H9	109.462	C3	C2	O5	125.328
O4	C1	H6	123.307	H7	C3	H8	110.595
H7	C3	H9	110.595	H8	C3	H9	106.672

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

using model chemistry: MP4=FULL/aug-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/aug-cc-pVTZ

States and conformations

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