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	hartrees
Energy at 0K	-154.347141
Energy at 298.15K	-154.352101
HF Energy	-154.347141
Nuclear repulsion energy	75.120658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3908	3719	45.92
2	A	3166	3013	51.20
3	A	3152	2999	12.52
4	A	3102	2952	19.99
5	A	3007	2862	38.76
6	A	1510	1436	3.33
7	A	1485	1413	18.19
8	A	1473	1402	13.14
9	A	1405	1337	0.10
10	A	1298	1235	157.83
11	A	1242	1182	17.19
12	A	1072	1020	28.00
13	A	1031	981	6.11
14	A	947	901	8.27
15	A	601	572	17.39
16	A	412	392	12.25
17	A	360	342	139.22
18	A	182	173	3.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.505	-0.101
C2	1.224	-0.163	0.011
O3	-1.164	-0.340	0.025
H4	-0.228	1.524	0.260
H5	1.285	-1.011	-0.678
H6	2.027	0.536	-0.234
H7	1.417	-0.554	1.021
H8	-1.973	0.174	-0.028

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4812	1.3693	1.0892	2.1290	2.1246	2.1595	1.9096
C2	1.4812		2.3940	2.2396	1.0945	1.0922	1.1010	3.2147
O3	1.3693	2.3940		2.0988	2.6344	3.3184	2.7742	0.9607
H4	1.0892	2.2396	2.0988		3.0978	2.5107	2.7580	2.2243
H5	2.1290	1.0945	2.6344	3.0978		1.7725	1.7647	3.5274
H6	2.1246	1.0922	3.3184	2.5107	1.7725		1.7712	4.0211
H7	2.1595	1.1010	2.7742	2.7580	1.7647	1.7712		3.6226
H8	1.9096	3.2147	0.9607	2.2243	3.5274	4.0211	3.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.599	C1	C2	H6	110.385
C1	C2	H7	112.670	C1	O3	H8	108.810
C2	C1	O3	114.187	C2	C1	H4	120.453
O3	C1	H4	116.763	H5	C2	H6	108.310
H5	C2	H7	106.982	H6	C2	H7	107.721

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

using model chemistry: mPW1PW91/6-31G**

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	-0.426
3	O	-0.498
4	H	0.103
5	H	0.151
6	H	0.137
7	H	0.139
8	H	0.333

	x	y	z	Total
	-0.587	1.203	0.227	1.358
CHELPG
AIM
ESP

	x	y	z
x	4.586	-0.103	0.037
y	-0.103	3.781	0.053
z	0.037	0.053	2.821

<r²>	51.064
(<r²>)^1/2	7.146

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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