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	hartrees
Energy at 0K	-154.356121
Energy at 298.15K	-154.361108
HF Energy	-154.356121
Nuclear repulsion energy	75.084610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3835	3692	31.86
2	A	3127	3010	62.83
3	A	3111	2995	12.37
4	A	3062	2948	23.35
5	A	2964	2854	53.93
6	A	1506	1450	2.11
7	A	1480	1425	17.07
8	A	1466	1411	11.53
9	A	1401	1349	1.71
10	A	1300	1252	151.06
11	A	1224	1179	36.86
12	A	1073	1033	27.90
13	A	1029	991	7.10
14	A	941	906	8.80
15	A	598	576	18.80
16	A	413	398	19.14
17	A	380	366	151.82
18	A	184	177	3.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.505	-0.103
C2	1.224	-0.162	0.011
O3	-1.164	-0.340	0.025
H4	-0.231	1.523	0.263
H5	1.289	-1.012	-0.677
H6	2.031	0.534	-0.230
H7	1.413	-0.556	1.023
H8	-1.978	0.170	-0.024

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4799	1.3710	1.0903	2.1303	2.1268	2.1584	1.9166
C2	1.4799		2.3945	2.2406	1.0951	1.0928	1.1024	3.2186
O3	1.3710	2.3945		2.0967	2.6383	3.3220	2.7722	0.9610
H4	1.0903	2.2406	2.0967		3.1015	2.5175	2.7570	2.2277
H5	2.1303	1.0951	2.6383	3.1015		1.7720	1.7647	3.5343
H6	2.1268	1.0928	3.3220	2.5175	1.7720		1.7722	4.0300
H7	2.1584	1.1024	2.7722	2.7570	1.7647	1.7722		3.6219
H8	1.9166	3.2186	0.9610	2.2277	3.5343	4.0300	3.6219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.763	C1	C2	H6	110.621
C1	C2	H7	112.587	C1	O3	H8	109.290
C2	C1	O3	114.211	C2	C1	H4	120.576
O3	C1	H4	116.376	H5	C2	H6	108.172
H5	C2	H7	106.841	H6	C2	H7	107.663

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

using model chemistry: B3PW91/6-311G*

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	-0.082
2	C	-0.679
3	O	-0.506
4	H	0.188
5	H	0.233
6	H	0.223
7	H	0.219
8	H	0.404

	x	y	z	Total
	-0.665	1.283	0.287	1.473
CHELPG
AIM
ESP

	x	y	z
x	4.821	-0.153	0.076
y	-0.153	3.984	0.007
z	0.076	0.007	3.142

<r²>	51.330
(<r²>)^1/2	7.165

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

using model chemistry: B3PW91/6-311G*

States and conformations

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