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	hartrees
Energy at 0K	-154.231531
Energy at 298.15K	-154.236532
HF Energy	-154.231531
Nuclear repulsion energy	75.226066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3868	3708	34.81
2	A	3144	3014	57.03
3	A	3128	2998	16.09
4	A	3080	2952	22.28
5	A	2984	2860	50.38
6	A	1509	1446	2.83
7	A	1484	1423	20.46
8	A	1472	1411	9.16
9	A	1403	1345	2.21
10	A	1310	1255	164.32
11	A	1236	1184	28.35
12	A	1079	1034	26.72
13	A	1032	989	6.32
14	A	948	909	8.98
15	A	605	580	18.38
16	A	415	397	19.65
17	A	382	367	151.82
18	A	185	178	3.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.505	-0.104
C2	1.221	-0.162	0.011
O3	-1.160	-0.339	0.025
H4	-0.231	1.522	0.265
H5	1.284	-1.012	-0.676
H6	2.029	0.533	-0.231
H7	1.408	-0.554	1.024
H8	-1.973	0.168	-0.024

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4779	1.3671	1.0902	2.1274	2.1255	2.1554	1.9119
C2	1.4779		2.3877	2.2377	1.0948	1.0924	1.1019	3.2110
O3	1.3671	2.3877		2.0939	2.6302	3.3158	2.7637	0.9592
H4	1.0902	2.2377	2.0939		3.0987	2.5161	2.7514	2.2252
H5	2.1274	1.0948	2.6302	3.0987		1.7718	1.7643	3.5250
H6	2.1255	1.0924	3.3158	2.5161	1.7718		1.7720	4.0236
H7	2.1554	1.1019	2.7637	2.7514	1.7643	1.7720		3.6122
H8	1.9119	3.2110	0.9592	2.2252	3.5250	4.0236	3.6122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.683	C1	C2	H6	110.676
C1	C2	H7	112.515	C1	O3	H8	109.287
C2	C1	O3	114.064	C2	C1	H4	120.486
O3	C1	H4	116.430	H5	C2	H6	108.200
H5	C2	H7	106.867	H6	C2	H7	107.710

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

using model chemistry: PBE1PBE/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	-0.083
2	C	-0.692
3	O	-0.508
4	H	0.190
5	H	0.237
6	H	0.226
7	H	0.223
8	H	0.407

	x	y	z	Total
	-0.677	1.279	0.286	1.476
CHELPG
AIM
ESP

	x	y	z
x	4.779	-0.150	0.073
y	-0.150	3.972	0.012
z	0.073	0.012	3.138

<r²>	51.176
(<r²>)^1/2	7.154

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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