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	hartrees
Energy at 0K	-154.247348
Energy at 298.15K	-154.252379
HF Energy	-154.098546
Nuclear repulsion energy	75.011737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3839	3839	33.77
2	A	3147	3147	64.18
3	A	3132	3132	12.34
4	A	3089	3089	23.18
5	A	2997	2997	46.16
6	A	1528	1528	1.86
7	A	1502	1502	12.10
8	A	1481	1481	15.00
9	A	1423	1423	0.91
10	A	1313	1313	137.12
11	A	1222	1222	41.83
12	A	1083	1083	28.33
13	A	1051	1051	11.91
14	A	945	945	8.40
15	A	632	632	17.27
16	A	418	418	20.68
17	A	388	388	147.87
18	A	187	187	3.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.511	-0.109
C2	1.225	-0.164	0.012
O3	-1.164	-0.341	0.024
H4	-0.230	1.520	0.275
H5	1.283	-1.015	-0.671
H6	2.034	0.527	-0.229
H7	1.402	-0.552	1.026
H8	-1.978	0.167	-0.012

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4849	1.3756	1.0882	2.1297	2.1293	2.1564	1.9193
C2	1.4849		2.3949	2.2412	1.0927	1.0909	1.0995	3.2197
O3	1.3756	2.3949		2.0971	2.6312	3.3227	2.7626	0.9605
H4	1.0882	2.2412	2.0971		3.1001	2.5232	2.7422	2.2286
H5	2.1297	1.0927	2.6312	3.1001		1.7706	1.7633	3.5305
H6	2.1293	1.0909	3.3227	2.5232	1.7706		1.7709	4.0335
H7	2.1564	1.0995	2.7626	2.7422	1.7633	1.7709		3.6081
H8	1.9193	3.2197	0.9605	2.2286	3.5305	4.0335	3.6081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.505	C1	C2	H6	110.580
C1	C2	H7	112.249	C1	O3	H8	109.197
C2	C1	O3	113.643	C2	C1	H4	120.363
O3	C1	H4	116.190	H5	C2	H6	108.362
H5	C2	H7	107.100	H6	C2	H7	107.888

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

using model chemistry: B2PLYP/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	-0.073
2	C	-0.648
3	O	-0.509
4	H	0.181
5	H	0.224
6	H	0.213
7	H	0.211
8	H	0.402

	x	y	z	Total
	-0.660	1.296	0.322	1.490
CHELPG
AIM
ESP

	x	y	z
x	4.756	-0.109	0.048
y	-0.109	3.953	0.026
z	0.048	0.026	3.110

<r²>	51.491
(<r²>)^1/2	7.176

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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