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	hartrees
Energy at 0K	-29.537102
Energy at 298.15K	-29.542236
HF Energy	-29.537102
Nuclear repulsion energy	43.915064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4149	3748	57.68
2	A	3274	2958	101.73
3	A	3256	2941	15.42
4	A	3231	2919	43.38
5	A	3156	2851	44.06
6	A	1622	1465	1.13
7	A	1604	1449	6.29
8	A	1573	1421	17.44
9	A	1507	1361	4.15
10	A	1400	1264	182.61
11	A	1271	1149	39.89
12	A	1147	1036	14.27
13	A	1125	1017	32.55
14	A	979	884	9.39
15	A	747	675	10.74
16	A	435	393	11.40
17	A	355	321	160.62
18	A	204	184	5.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.098	0.517	-0.120
C2	1.234	-0.168	0.012
O3	-1.167	-0.339	0.031
H4	-0.227	1.501	0.314
H5	1.299	-1.005	-0.677
H6	2.038	0.528	-0.210
H7	1.383	-0.553	1.022
H8	-1.977	0.144	-0.049

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5027	1.3776	1.0839	2.1389	2.1372	2.1544	1.9175
C2	1.5027		2.4068	2.2384	1.0864	1.0862	1.0913	3.2266
O3	1.3776	2.4068		2.0852	2.6503	3.3285	2.7442	0.9466
H4	1.0839	2.2384	2.0852		3.0970	2.5200	2.7044	2.2443
H5	2.1389	1.0864	2.6503	3.0970		1.7652	1.7600	3.5277
H6	2.1372	1.0862	3.3285	2.5200	1.7652		1.7648	4.0364
H7	2.1544	1.0913	2.7442	2.7044	1.7600	1.7648		3.5953
H8	1.9175	3.2266	0.9466	2.2443	3.5277	4.0364	3.5953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.373	C1	C2	H6	110.244
C1	C2	H7	111.320	C1	O3	H8	109.786
C2	C1	O3	113.286	C2	C1	H4	118.963
O3	C1	H4	115.288	H5	C2	H6	108.681
H5	C2	H7	107.849	H6	C2	H7	108.287

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

using model chemistry: HF/CEP-121G*

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	0.028
2	C	-0.483
3	O	-0.610
4	H	0.126
5	H	0.171
6	H	0.159
7	H	0.160
8	H	0.449

	x	y	z	Total
	-0.377	1.470	0.210	1.532
CHELPG
AIM
ESP

	x	y	z
x	4.308	-0.060	0.031
y	-0.060	3.845	0.049
z	0.031	0.049	3.202

<r²>	45.003
(<r²>)^1/2	6.708

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

using model chemistry: HF/CEP-121G*

States and conformations

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