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	hartrees
Energy at 0K	-154.219349
Energy at 298.15K	-154.224308
HF Energy	-154.219349
Nuclear repulsion energy	75.113930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3898	3720	45.08
2	A	3161	3017	48.98
3	A	3146	3002	14.44
4	A	3096	2954	19.67
5	A	3000	2863	39.08
6	A	1505	1436	3.89
7	A	1480	1412	20.66
8	A	1469	1402	10.12
9	A	1399	1335	0.12
10	A	1296	1237	159.88
11	A	1240	1184	15.63
12	A	1071	1022	27.34
13	A	1027	980	5.75
14	A	946	903	8.69
15	A	600	573	17.50
16	A	411	392	12.30
17	A	359	342	138.46
18	A	183	175	3.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.505	-0.101
C2	1.223	-0.163	0.011
O3	-1.163	-0.341	0.025
H4	-0.228	1.525	0.260
H5	1.283	-1.013	-0.678
H6	2.027	0.536	-0.235
H7	1.417	-0.554	1.023
H8	-1.973	0.175	-0.028

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4804	1.3693	1.0905	2.1292	2.1253	2.1604	1.9094
C2	1.4804		2.3927	2.2399	1.0958	1.0933	1.1024	3.2138
O3	1.3693	2.3927		2.1002	2.6327	3.3187	2.7746	0.9615
H4	1.0905	2.2399	2.1002		3.0996	2.5121	2.7592	2.2248
H5	2.1292	1.0958	2.6327	3.0996		1.7744	1.7662	3.5266
H6	2.1253	1.0933	3.3187	2.5121	1.7744		1.7729	4.0216
H7	2.1604	1.1024	2.7746	2.7592	1.7662	1.7729		3.6232
H8	1.9094	3.2138	0.9615	2.2248	3.5266	4.0216	3.6232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.593	C1	C2	H6	110.424
C1	C2	H7	112.712	C1	O3	H8	108.747
C2	C1	O3	114.146	C2	C1	H4	120.444
O3	C1	H4	116.806	H5	C2	H6	108.305
H5	C2	H7	106.935	H6	C2	H7	107.693

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

using model chemistry: HSEh1PBE/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	0.061
2	C	-0.420
3	O	-0.493
4	H	0.099
5	H	0.148
6	H	0.135
7	H	0.137
8	H	0.332

	x	y	z	Total
	-0.601	1.193	0.227	1.355
CHELPG
AIM
ESP

	x	y	z
x	4.612	-0.108	0.040
y	-0.108	3.800	0.054
z	0.040	0.054	2.831

<r²>	51.085
(<r²>)^1/2	7.147

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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