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	hartrees
Energy at 0K	-152.600321
Energy at 298.15K	-152.605330
HF Energy	-152.600321
Nuclear repulsion energy	74.523021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3892	3513	28.92
2	A	3286	2966	61.62
3	A	3266	2948	8.72
4	A	3239	2924	20.38
5	A	3169	2860	21.89
6	A	1665	1503	3.57
7	A	1646	1486	6.77
8	A	1574	1421	16.83
9	A	1536	1386	10.14
10	A	1366	1233	124.42
11	A	1248	1126	31.56
12	A	1165	1051	9.24
13	A	1119	1010	75.11
14	A	959	865	4.31
15	A	694	627	12.35
16	A	416	376	15.44
17	A	325	294	195.92
18	A	173	156	5.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.082	0.528	-0.106
C2	1.234	-0.176	0.008
O3	-1.175	-0.335	0.034
H4	-0.191	1.524	0.292
H5	1.250	-1.029	-0.660
H6	2.046	0.492	-0.251
H7	1.398	-0.544	1.019
H8	-2.016	0.122	-0.088

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4977	1.3992	1.0775	2.1228	2.1335	2.1466	1.9758
C2	1.4977		2.4141	2.2367	1.0831	1.0829	1.0880	3.2649
O3	1.3992	2.4141		2.1186	2.6157	3.3371	2.7630	0.9646
H4	1.0775	2.2367	2.1186		3.0818	2.5227	2.7077	2.3325
H5	2.1228	1.0831	2.6157	3.0818		1.7642	1.7540	3.5091
H6	2.1335	1.0829	3.3371	2.5227	1.7642		1.7621	4.0816
H7	2.1466	1.0880	2.7630	2.7077	1.7540	1.7621		3.6504
H8	1.9758	3.2649	0.9646	2.3325	3.5091	4.0816	3.6504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.635	C1	C2	H6	110.504
C1	C2	H7	111.250	C1	O3	H8	112.097
C2	C1	O3	112.847	C2	C1	H4	119.696
O3	C1	H4	117.022	H5	C2	H6	109.074
H5	C2	H7	107.782	H6	C2	H7	108.526

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

using model chemistry: HF/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	0.118
2	C	-0.656
3	O	-0.685
4	H	0.178
5	H	0.232
6	H	0.205
7	H	0.218
8	H	0.390

	x	y	z	Total
	-0.347	1.616	0.039	1.653
CHELPG
AIM
ESP

	x	y	z
x	3.965	-0.033	0.027
y	-0.033	3.227	0.089
z	0.027	0.089	2.281

<r²>	51.826
(<r²>)^1/2	7.199

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

using model chemistry: HF/3-21G*

States and conformations

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