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	hartrees
Energy at 0K	-154.331976
Energy at 298.15K	-154.336879
HF Energy	-154.331976
Nuclear repulsion energy	74.210484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3670	3530	14.27
2	A	3156	3036	55.82
3	A	3123	3004	11.63
4	A	3070	2953	24.36
5	A	2972	2859	45.57
6	A	1536	1478	2.69
7	A	1512	1454	9.90
8	A	1470	1414	16.73
9	A	1438	1383	3.39
10	A	1272	1223	76.65
11	A	1191	1145	70.52
12	A	1077	1036	37.29
13	A	1057	1017	21.07
14	A	934	898	14.83
15	A	549	528	21.19
16	A	406	390	16.61
17	A	365	352	183.44
18	A	166	159	4.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.077	0.518	-0.090
C2	1.235	-0.172	0.009
O3	-1.183	-0.338	0.025
H4	-0.211	1.548	0.239
H5	1.277	-1.022	-0.683
H6	2.047	0.519	-0.242
H7	1.433	-0.570	1.019
H8	-2.027	0.149	-0.042

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4851	1.4036	1.0892	2.1350	2.1292	2.1669	1.9851
C2	1.4851		2.4235	2.2581	1.0971	1.0953	1.1044	3.2773
O3	1.4036	2.4235		2.1324	2.6502	3.3525	2.8086	0.9761
H4	1.0892	2.2581	2.1324		3.1097	2.5274	2.7925	2.3094
H5	2.1350	1.0971	2.6502	3.1097		1.7781	1.7680	3.5637
H6	2.1292	1.0953	3.3525	2.5274	1.7781		1.7759	4.0954
H7	2.1669	1.1044	2.8086	2.7925	1.7680	1.7759		3.6895
H8	1.9851	3.2773	0.9761	2.3094	3.5637	4.0954	3.6895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.655	C1	C2	H6	110.301
C1	C2	H7	112.783	C1	O3	H8	111.810
C2	C1	O3	114.035	C2	C1	H4	121.850
O3	C1	H4	117.054	H5	C2	H6	108.400
H5	C2	H7	106.854	H6	C2	H7	107.671

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

using model chemistry: B3LYP/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	0.091
2	C	-0.439
3	O	-0.579
4	H	0.110
5	H	0.159
6	H	0.139
7	H	0.146
8	H	0.372

	x	y	z	Total
	-0.530	1.481	0.195	1.585
CHELPG
AIM
ESP

	x	y	z
x	4.641	-0.053	0.048
y	-0.053	3.688	0.024
z	0.048	0.024	2.583

<r²>	52.164
(<r²>)^1/2	7.222

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

using model chemistry: B3LYP/6-31G

States and conformations

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