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: QCISD(T)/aug-cc-pVTZ

States and conformations

Geometric Data calculated at QCISD(T)/aug-cc-pVTZ

Point Group is C₁

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.090	0.512	-0.105
C2	1.228	-0.166	0.013
O3	-1.167	-0.343	0.021
H4	-0.234	1.526	0.259
H5	1.297	-0.995	-0.697
H6	2.034	0.540	-0.195
H7	1.386	-0.580	1.019
H8	-1.977	0.175	0.004

Atom - Atom Distances (Å)

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4875	1.3804	1.0864	2.1323	2.1267	2.1535	1.9196
C2	1.4875		2.4012	2.2496	1.0935	1.0914	1.0995	3.2233
O3	1.3804	2.4012		2.1020	2.6476	3.3273	2.7513	0.9623
H4	1.0864	2.2496	2.1020		3.1002	2.5147	2.7637	2.2194
H5	2.1323	1.0935	2.6476	3.1002		1.7748	1.7679	3.5471
H6	2.1267	1.0914	3.3273	2.5147	1.7748		1.7744	4.0327
H7	2.1535	1.0995	2.7513	2.7637	1.7679	1.7744		3.5933
H8	1.9196	3.2233	0.9623	2.2194	3.5471	4.0327	3.5933

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	110.488		C1	C2	H6	110.160
C1	C2	H7	111.827		C1	O3	H8	108.736
C2	C1	O3	113.657		C2	C1	H4	121.072
O3	C1	H4	116.381		H5	C2	H6	108.640
H5	C2	H7	107.445		H6	C2	H7	108.172