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	hartrees
Energy at 0K	-228.761529
Energy at 298.15K
HF Energy	-227.862299
Nuclear repulsion energy	120.142605

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.924	0.000
C2	-0.926	0.271	0.000
O3	1.350	-0.581	0.000
O4	-0.518	1.399	0.000
H5	1.373	0.378	0.000
H6	-0.235	-1.526	0.880
H7	-0.235	-1.526	-0.880
H8	-2.002	0.049	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5117	1.3927	2.3795	1.8916	1.0920	1.0920	2.2257
C2	1.5117		2.4300	1.1988	2.3010	2.1169	2.1169	1.0987
O3	1.3927	2.4300		2.7219	0.9589	2.0442	2.0442	3.4104
O4	2.3795	1.1988	2.7219		2.1491	3.0670	3.0670	2.0055
H5	1.8916	2.3010	0.9589	2.1491		2.6423	2.6423	3.3905
H6	1.0920	2.1169	2.0442	3.0670	2.6423		1.7608	2.5252
H7	1.0920	2.1169	2.0442	3.0670	2.6423	1.7608		2.5252
H8	2.2257	1.0987	3.4104	2.0055	3.3905	2.5252	2.5252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.360	C1	C2	H8	116.098
C1	O3	H5	105.617	C2	C1	O3	113.516
C2	C1	H6	107.693	C2	C1	H7	107.693
O3	C1	H6	110.126	O3	C1	H7	110.126
O4	C2	H8	121.541	H6	C1	H7	107.466

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)

using model chemistry: CCSD=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 CHOCH2OH (hydroxy acetaldehyde)

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

States and conformations

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)