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	hartrees
Energy at 0K	-154.270010
Energy at 298.15K	-154.274855
HF Energy	-154.270010
Nuclear repulsion energy	73.561401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3498	3471	5.33
2	A	3068	3044	63.16
3	A	3038	3015	11.78
4	A	2982	2960	27.44
5	A	2871	2849	61.31
6	A	1498	1486	2.15
7	A	1472	1460	8.67
8	A	1425	1414	9.20
9	A	1396	1386	5.27
10	A	1240	1230	62.24
11	A	1139	1130	60.11
12	A	1045	1037	30.43
13	A	1026	1019	25.50
14	A	897	891	17.50
15	A	534	530	21.13
16	A	395	392	22.84
17	A	364	361	158.93
18	A	164	163	3.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.074	0.523	-0.092
C2	1.242	-0.173	0.009
O3	-1.195	-0.343	0.024
H4	-0.209	1.559	0.245
H5	1.287	-1.032	-0.686
H6	2.060	0.522	-0.246
H7	1.450	-0.575	1.027
H8	-2.037	0.171	-0.037

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4928	1.4214	1.0972	2.1505	2.1397	2.1863	1.9953
C2	1.4928		2.4433	2.2721	1.1052	1.1031	1.1140	3.2982
O3	1.4214	2.4433		2.1536	2.6720	3.3789	2.8379	0.9892
H4	1.0972	2.2721	2.1536		3.1331	2.5426	2.8137	2.3122
H5	2.1505	1.1052	2.6720	3.1331		1.7903	1.7799	3.5947
H6	2.1397	1.1031	3.3789	2.5426	1.7903		1.7877	4.1177
H7	2.1863	1.1140	2.8379	2.8137	1.7799	1.7877		3.7215
H8	1.9953	3.2982	0.9892	2.3122	3.5947	4.1177	3.7215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.852	C1	C2	H6	110.124
C1	C2	H7	113.204	C1	O3	H8	110.444
C2	C1	O3	113.921	C2	C1	H4	121.885
O3	C1	H4	116.955	H5	C2	H6	108.331
H5	C2	H7	106.654	H6	C2	H7	107.475

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

using model chemistry: BLYP/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	0.080
2	C	-0.395
3	O	-0.530
4	H	0.092
5	H	0.143
6	H	0.126
7	H	0.130
8	H	0.354

	x	y	z	Total
	-0.560	1.388	0.221	1.513
CHELPG
AIM
ESP

	x	y	z
x	4.954	-0.098	0.068
y	-0.098	3.840	0.016
z	0.068	0.016	2.647

<r²>	52.882
(<r²>)^1/2	7.272

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

using model chemistry: BLYP/6-31G

States and conformations

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