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	hartrees
Energy at 0K	-153.304481
Energy at 298.15K	-153.309438
HF Energy	-153.208690
Nuclear repulsion energy	74.005033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3534	3534	8.66
2	A	3158	3158	42.81
3	A	3139	3139	18.86
4	A	3108	3108	16.19
5	A	3021	3021	29.91
6	A	1583	1583	2.97
7	A	1559	1559	7.85
8	A	1482	1482	13.17
9	A	1462	1462	4.50
10	A	1295	1295	80.49
11	A	1186	1186	38.54
12	A	1097	1097	4.23
13	A	1058	1058	62.95
14	A	925	925	5.47
15	A	632	632	17.97
16	A	398	398	27.55
17	A	365	365	152.61
18	A	165	165	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	0.528	-0.104
C2	1.236	-0.175	0.011
O3	-1.182	-0.344	0.027
H4	-0.187	1.541	0.278
H5	1.238	-1.058	-0.634
H6	2.047	0.490	-0.298
H7	1.441	-0.514	1.037
H8	-2.022	0.178	-0.037

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4962	1.4117	1.0881	2.1288	2.1351	2.1679	1.9745
C2	1.4962		2.4247	2.2459	1.0935	1.0927	1.1002	3.2775
O3	1.4117	2.4247		2.1460	2.6085	3.3505	2.8166	0.9903
H4	1.0881	2.2459	2.1460		3.1014	2.5348	2.7301	2.3068
H5	2.1288	1.0935	2.6085	3.1014		1.7790	1.7695	3.5367
H6	2.1351	1.0927	3.3505	2.5348	1.7790		1.7766	4.0884
H7	2.1679	1.1002	2.8166	2.7301	1.7695	1.7766		3.6912
H8	1.9745	3.2775	0.9903	2.3068	3.5367	4.0884	3.6912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.590	C1	C2	H6	110.141
C1	C2	H7	112.329	C1	O3	H8	109.327
C2	C1	O3	112.956	C2	C1	H4	119.864
O3	C1	H4	117.708	H5	C2	H6	108.928
H5	C2	H7	107.536	H6	C2	H7	108.226

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

using model chemistry: B2PLYP/3-21G

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	0.037
2	C	-0.610
3	O	-0.548
4	H	0.159
5	H	0.213
6	H	0.193
7	H	0.197
8	H	0.359

	x	y	z	Total
	-0.610	1.340	0.265	1.496
CHELPG
AIM
ESP

	x	y	z
x	4.427	-0.024	0.010
y	-0.024	3.429	0.056
z	0.010	0.056	2.335

<r²>	52.215
(<r²>)^1/2	7.226

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

using model chemistry: B2PLYP/3-21G

States and conformations

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