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	hartrees
Energy at 0K	-154.373881
Energy at 298.15K	-154.378847
HF Energy	-154.373881
Nuclear repulsion energy	75.139836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3932	3761	61.22
2	A	3144	3007	56.62
3	A	3128	2992	7.76
4	A	3076	2942	22.30
5	A	2986	2856	42.96
6	A	1498	1433	3.51
7	A	1475	1411	23.27
8	A	1464	1401	8.01
9	A	1401	1340	0.60
10	A	1299	1242	153.51
11	A	1236	1182	24.79
12	A	1072	1025	30.83
13	A	1031	986	5.77
14	A	945	904	7.31
15	A	581	556	17.48
16	A	416	398	11.40
17	A	372	355	139.35
18	A	174	166	3.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.506	-0.103
C2	1.225	-0.163	0.012
O3	-1.163	-0.340	0.023
H4	-0.232	1.523	0.259
H5	1.299	-0.991	-0.700
H6	2.030	0.545	-0.197
H7	1.392	-0.581	1.016
H8	-1.971	0.171	-0.014

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4831	1.3685	1.0890	2.1305	2.1264	2.1545	1.9086
C2	1.4831		2.3939	2.2419	1.0945	1.0919	1.1007	3.2133
O3	1.3685	2.3939		2.0964	2.6473	3.3200	2.7510	0.9571
H4	1.0890	2.2419	2.0964		3.0965	2.5062	2.7637	2.2202
H5	2.1305	1.0945	2.6473	3.0965		1.7735	1.7664	3.5380
H6	2.1264	1.0919	3.3200	2.5062	1.7735		1.7738	4.0225
H7	2.1545	1.1007	2.7510	2.7637	1.7664	1.7738		3.5965
H8	1.9086	3.2133	0.9571	2.2202	3.5380	4.0225	3.5965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.585	C1	C2	H6	110.413
C1	C2	H7	112.143	C1	O3	H8	109.023
C2	C1	O3	114.110	C2	C1	H4	120.521
O3	C1	H4	116.630	H5	C2	H6	108.411
H5	C2	H7	107.150	H6	C2	H7	107.994

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

using model chemistry: wB97X-D/6-311G**

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	-0.075
2	C	-0.325
3	O	-0.329
4	H	0.102
5	H	0.130
6	H	0.119
7	H	0.120
8	H	0.258

	x	y	z	Total
	-0.598	1.214	0.313	1.389
CHELPG
AIM
ESP

	x	y	z
x	4.804	-0.140	0.050
y	-0.140	4.032	0.021
z	0.050	0.021	3.214

<r²>	51.245
(<r²>)^1/2	7.159

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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