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	hartrees
Energy at 0K	-153.391201
Energy at 298.15K	-153.396253
HF Energy	-153.391201
Nuclear repulsion energy	74.809727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4050	3657	47.76
2	A	3308	2987	63.99
3	A	3273	2955	14.09
4	A	3237	2923	29.60
5	A	3162	2855	28.66
6	A	1649	1489	3.44
7	A	1631	1472	7.74
8	A	1588	1434	19.89
9	A	1537	1388	10.36
10	A	1364	1232	124.99
11	A	1264	1141	55.06
12	A	1164	1051	20.48
13	A	1143	1032	53.58
14	A	989	893	12.59
15	A	663	599	13.40
16	A	436	393	15.81
17	A	342	309	225.93
18	A	179	162	7.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	0.523	-0.100
C2	1.230	-0.175	0.009
O3	-1.173	-0.329	0.031
H4	-0.208	1.526	0.270
H5	1.270	-1.007	-0.683
H6	2.043	0.504	-0.219
H7	1.390	-0.572	1.009
H8	-2.018	0.091	-0.072

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4877	1.3920	1.0768	2.1219	2.1261	2.1425	1.9857
C2	1.4877		2.4076	2.2423	1.0832	1.0831	1.0881	3.2595
O3	1.3920	2.4076		2.1043	2.6336	3.3311	2.7539	0.9494
H4	1.0768	2.2423	2.1043		3.0838	2.5202	2.7391	2.3344
H5	2.1219	1.0832	2.6336	3.0838		1.7596	1.7509	3.5198
H6	2.1261	1.0831	3.3311	2.5202	1.7596		1.7583	4.0842
H7	2.1425	1.0881	2.7539	2.7391	1.7509	1.7583		3.6362
H8	1.9857	3.2595	0.9494	2.3344	3.5198	4.0842	3.6362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.253	C1	C2	H6	110.594
C1	C2	H7	111.615	C1	O3	H8	114.695
C2	C1	O3	113.410	C2	C1	H4	121.099
O3	C1	H4	116.360	H5	C2	H6	108.632
H5	C2	H7	107.486	H6	C2	H7	108.150

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)

using model chemistry: HF/6-31G

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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Number	Element	Mulliken
1	C	0.182
2	C	-0.496
3	O	-0.744
4	H	0.138
5	H	0.182
6	H	0.155
7	H	0.170
8	H	0.413

	x	y	z	Total
	-0.283	1.773	0.031	1.796
CHELPG
AIM
ESP

	x	y	z
x	4.014	0.002	0.025
y	0.002	3.400	0.073
z	0.025	0.073	2.483

<r²>	51.713
(<r²>)^1/2	7.191

All results from a given calculation for CH3CHOH (1-hydroxy-ethyl radical)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)