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	hartrees
Energy at 0K	-153.568285
Energy at 298.15K	-153.573157
HF Energy	-153.568285
Nuclear repulsion energy	75.272100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3755	3694	46.81
2	A	3084	3034	24.79
3	A	3068	3018	19.64
4	A	2997	2948	14.57
5	A	2882	2835	48.04
6	A	1452	1428	24.50
7	A	1427	1404	9.93
8	A	1395	1372	7.88
9	A	1334	1312	0.76
10	A	1255	1234	151.95
11	A	1215	1195	7.20
12	A	1044	1027	30.28
13	A	977	961	3.90
14	A	926	911	10.55
15	A	538	529	20.12
16	A	398	392	21.88
17	A	367	361	134.98
18	A	177	174	2.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.500	-0.091
C2	1.213	-0.159	0.009
O3	-1.156	-0.341	0.023
H4	-0.230	1.540	0.237
H5	1.277	-1.013	-0.691
H6	2.023	0.546	-0.234
H7	1.425	-0.572	1.022
H8	-1.975	0.183	-0.026

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4644	1.3617	1.0994	2.1257	2.1197	2.1653	1.9114
C2	1.4644		2.3758	2.2407	1.1058	1.1013	1.1143	3.2062
O3	1.3617	2.3758		2.1071	2.6232	3.3107	2.7773	0.9737
H4	1.0994	2.2407	2.1071		3.1061	2.5078	2.7963	2.2255
H5	2.1257	1.1058	2.6232	3.1061		1.7871	1.7749	3.5281
H6	2.1197	1.1013	3.3107	2.5078	1.7871		1.7847	4.0200
H7	2.1653	1.1143	2.7773	2.7963	1.7749	1.7847		3.6375
H8	1.9114	3.2062	0.9737	2.2255	3.5281	4.0200	3.6375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.828	C1	C2	H6	110.619
C1	C2	H7	113.524	C1	O3	H8	108.721
C2	C1	O3	114.371	C2	C1	H4	121.200
O3	C1	H4	117.379	H5	C2	H6	108.134
H5	C2	H7	106.159	H6	C2	H7	107.316

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

using model chemistry: SVWN/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	0.017
2	C	-0.457
3	O	-0.448
4	H	0.101
5	H	0.157
6	H	0.147
7	H	0.143
8	H	0.341

	x	y	z	Total
	-0.771	1.091	0.234	1.356
CHELPG
AIM
ESP

	x	y	z
x	4.948	-0.203	0.093
y	-0.203	3.971	0.031
z	0.093	0.031	2.915

<r²>	50.842
(<r²>)^1/2	7.130

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

using model chemistry: SVWN/6-31G**

States and conformations

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