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	hartrees
Energy at 0K	-30.188284
Energy at 298.15K	-30.193180
HF Energy	-30.188284
Nuclear repulsion energy	43.092828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3683	3589	14.88
2	A	3096	3017	76.45
3	A	3075	2997	12.28
4	A	3033	2956	34.17
5	A	2936	2861	52.61
6	A	1515	1476	3.77
7	A	1489	1451	12.02
8	A	1444	1407	21.35
9	A	1398	1362	5.54
10	A	1243	1211	79.58
11	A	1164	1134	73.75
12	A	1054	1027	42.83
13	A	1033	1007	17.52
14	A	911	887	17.03
15	A	546	532	23.06
16	A	397	387	18.54
17	A	360	350	181.19
18	A	170	165	4.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.076	0.528	-0.095
C2	1.249	-0.176	0.009
O3	-1.195	-0.342	0.026
H4	-0.218	1.556	0.255
H5	1.294	-1.017	-0.695
H6	2.064	0.520	-0.226
H7	1.428	-0.584	1.021
H8	-2.042	0.143	-0.050

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5039	1.4227	1.0949	2.1511	2.1437	2.1782	2.0036
C2	1.5039		2.4493	2.2829	1.0981	1.0970	1.1053	3.3063
O3	1.4227	2.4493		2.1469	2.6783	3.3800	2.8157	0.9787
H4	1.0949	2.2829	2.1469		3.1324	2.5516	2.8064	2.3273
H5	2.1511	1.0981	2.6783	3.1324		1.7818	1.7746	3.5904
H6	2.1437	1.0970	3.3800	2.5516	1.7818		1.7819	4.1263
H7	2.1782	1.1053	2.8157	2.8064	1.7746	1.7819		3.7035
H8	2.0036	3.3063	0.9787	2.3273	3.5904	4.1263	3.7035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.553	C1	C2	H6	110.035
C1	C2	H7	112.292	C1	O3	H8	111.757
C2	C1	O3	113.603	C2	C1	H4	122.114
O3	C1	H4	116.421	H5	C2	H6	108.526
H5	C2	H7	107.293	H6	C2	H7	108.014

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

using model chemistry: B3LYP/CEP-121G

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	0.007
2	C	-0.488
3	O	-0.439
4	H	0.106
5	H	0.167
6	H	0.147
7	H	0.153
8	H	0.348

	x	y	z	Total
	-0.425	1.547	0.251	1.623
CHELPG
AIM
ESP

	x	y	z
x	5.017	-0.057	0.073
y	-0.057	4.173	-0.014
z	0.073	-0.014	3.274

<r²>	46.305
(<r²>)^1/2	6.805

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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