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 CH₃CHOH (1-hydroxy-ethyl radical)

using model chemistry: MP3=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at MP3=FULL/aug-cc-pVTZ

Point Group is C₁

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.504	-0.101
C2	1.222	-0.164	0.012
O3	-1.159	-0.338	0.021
H4	-0.231	1.514	0.248
H5	1.294	-0.985	-0.698
H6	2.021	0.542	-0.195
H7	1.382	-0.577	1.011
H8	-1.967	0.168	0.000

Atom - Atom Distances (Å)

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4787	1.3649	1.0775	2.1201	2.1155	2.1406	1.9077
C2	1.4787		2.3878	2.2320	1.0878	1.0856	1.0931	3.2065
O3	1.3649	2.3878		2.0844	2.6369	3.3066	2.7385	0.9534
H4	1.0775	2.2320	2.0844		3.0764	2.4924	2.7495	2.2113
H5	2.1201	1.0878	2.6369	3.0764		1.7637	1.7591	3.5286
H6	2.1155	1.0856	3.3066	2.4924	1.7637		1.7649	4.0103
H7	2.1406	1.0931	2.7385	2.7495	1.7591	1.7649		3.5775
H8	1.9077	3.2065	0.9534	2.2113	3.5286	4.0103	3.5775

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	110.473		C1	C2	H6	110.232
C1	C2	H7	111.805		C1	O3	H8	109.462
C2	C1	O3	114.157		C2	C1	H4	120.857
O3	C1	H4	116.686		H5	C2	H6	108.482
H5	C2	H7	107.533		H6	C2	H7	108.203