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	hartrees
Energy at 0K	-152.182367
Energy at 298.15K	-152.187138
HF Energy	-152.182367
Nuclear repulsion energy	72.844815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3597	3286	19.94
2	A	3399	3105	1.01
3	A	3342	3053	3.44
4	A	3275	2992	9.32
5	A	3196	2920	6.98
6	A	1647	1504	2.29
7	A	1626	1485	5.20
8	A	1545	1411	8.56
9	A	1512	1381	3.11
10	A	1389	1269	60.52
11	A	1246	1138	5.68
12	A	1105	1009	6.37
13	A	1089	995	4.67
14	A	966	883	2.57
15	A	635	580	8.31
16	A	444	406	69.63
17	A	386	353	14.80
18	A	136	125	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.521	-0.125
C2	1.258	-0.168	0.017
O3	-1.202	-0.364	0.022
H4	-0.206	1.542	0.303
H5	1.256	-1.135	-0.522
H6	2.054	0.469	-0.417
H7	1.540	-0.376	1.075
H8	-2.007	0.290	0.034

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5239	1.4262	1.1122	2.1738	2.1682	2.2164	1.9336
C2	1.5239		2.4680	2.2688	1.1076	1.1078	1.1141	3.2967
O3	1.4262	2.4680		2.1687	2.6335	3.3895	2.9371	1.0367
H4	1.1122	2.2688	2.1687		3.1600	2.6034	2.7053	2.2098
H5	2.1738	1.1076	2.6335	3.1600		1.7944	1.7910	3.6039
H6	2.1682	1.1078	3.3895	2.6034	1.7944		1.7896	4.0897
H7	2.2164	1.1141	2.9371	2.7053	1.7910	1.7896		3.7555
H8	1.9336	3.2967	1.0367	2.2098	3.6039	4.0897	3.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.388	C1	C2	H6	109.941
C1	C2	H7	113.400	C1	O3	H8	102.300
C2	C1	O3	113.516	C2	C1	H4	117.935
O3	C1	H4	116.838	H5	C2	H6	108.183
H5	C2	H7	107.441	H6	C2	H7	107.301

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

using model chemistry: PBEPBE/STO-3G

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	-0.049
2	C	-0.248
3	O	-0.186
4	H	0.048
5	H	0.084
6	H	0.082
7	H	0.075
8	H	0.194

	x	y	z	Total
	-0.742	0.855	0.380	1.194
CHELPG
AIM
ESP

	x	y	z
x	3.132	-0.003	-0.081
y	-0.003	1.975	0.043
z	-0.081	0.043	1.181

<r²>	52.576
(<r²>)^1/2	7.251

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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