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	hartrees
Energy at 0K	-153.511867
Energy at 298.15K	-153.516679
HF Energy	-153.511867
Nuclear repulsion energy	74.678894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3519	21.92
2	A	3108	3045	39.48
3	A	3080	3018	4.43
4	A	2998	2937	18.34
5	A	2883	2825	52.00
6	A	1472	1442	3.56
7	A	1451	1421	30.38
8	A	1431	1402	9.80
9	A	1385	1357	2.97
10	A	1231	1206	24.69
11	A	1205	1181	129.55
12	A	1058	1036	45.93
13	A	1014	993	5.26
14	A	936	917	15.84
15	A	482	472	25.30
16	A	388	380	29.65
17	A	369	361	186.14
18	A	161	158	3.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.076	0.509	-0.075
C2	1.219	-0.167	0.006
O3	-1.170	-0.337	0.022
H4	-0.212	1.562	0.202
H5	1.264	-1.018	-0.701
H6	2.036	0.532	-0.242
H7	1.438	-0.591	1.015
H8	-2.021	0.154	-0.044

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4632	1.3854	1.0974	2.1257	2.1188	2.1656	1.9772
C2	1.4632		2.3945	2.2528	1.1073	1.1029	1.1157	3.2563
O3	1.3854	2.3945		2.1341	2.6283	3.3312	2.8017	0.9849
H4	1.0974	2.2528	2.1341		3.1062	2.5122	2.8315	2.3060
H5	2.1257	1.1073	2.6283	3.1062		1.7908	1.7768	3.5488
H6	2.1188	1.1029	3.3312	2.5122	1.7908		1.7874	4.0792
H7	2.1656	1.1157	2.8017	2.8315	1.7768	1.7874		3.6936
H8	1.9772	3.2563	0.9849	2.3060	3.5488	4.0792	3.6936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.817	C1	C2	H6	110.530
C1	C2	H7	113.540	C1	O3	H8	111.946
C2	C1	O3	114.379	C2	C1	H4	122.591
O3	C1	H4	118.070	H5	C2	H6	108.239
H5	C2	H7	106.121	H6	C2	H7	107.342

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

using model chemistry: LSDA/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	0.027
2	C	-0.542
3	O	-0.545
4	H	0.136
5	H	0.188
6	H	0.172
7	H	0.174
8	H	0.390

	x	y	z	Total
	-0.749	1.391	0.178	1.590
CHELPG
AIM
ESP

	x	y	z
x	4.904	-0.147	0.107
y	-0.147	3.848	-0.004
z	0.107	-0.004	2.677

<r²>	51.508
(<r²>)^1/2	7.177

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

using model chemistry: LSDA/6-31G

States and conformations

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