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	hartrees
Energy at 0K	-153.531208
Energy at 298.15K	-153.536334
HF Energy	-153.531208
Nuclear repulsion energy	75.518140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4181	3798	86.58
2	A	3254	2956	67.32
3	A	3227	2932	11.89
4	A	3193	2901	28.03
5	A	3122	2836	37.82
6	A	1607	1460	1.88
7	A	1588	1442	7.59
8	A	1567	1423	20.06
9	A	1508	1370	1.73
10	A	1387	1260	158.83
11	A	1283	1166	38.95
12	A	1140	1035	26.93
13	A	1118	1016	16.59
14	A	982	892	7.93
15	A	703	639	12.38
16	A	442	401	10.02
17	A	347	315	131.44
18	A	205	187	5.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.098	0.506	-0.111
C2	1.225	-0.164	0.012
O3	-1.159	-0.334	0.026
H4	-0.230	1.501	0.281
H5	1.296	-0.994	-0.681
H6	2.022	0.535	-0.204
H7	1.382	-0.558	1.014
H8	-1.968	0.139	-0.025

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4883	1.3604	1.0776	2.1252	2.1223	2.1419	1.9075
C2	1.4883		2.3902	2.2275	1.0831	1.0821	1.0882	3.2074
O3	1.3604	2.3902		2.0725	2.6386	3.3058	2.7350	0.9383
H4	1.0776	2.2275	2.0725		3.0784	2.4979	2.7150	2.2293
H5	2.1252	1.0831	2.6386	3.0784		1.7584	1.7526	3.5163
H6	2.1223	1.0821	3.3058	2.4979	1.7584		1.7576	4.0135
H7	2.1419	1.0882	2.7350	2.7150	1.7526	1.7576		3.5755
H8	1.9075	3.2074	0.9383	2.2293	3.5163	4.0135	3.5755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.491	C1	C2	H6	110.316
C1	C2	H7	111.529	C1	O3	H8	110.820
C2	C1	O3	114.004	C2	C1	H4	119.626
O3	C1	H4	115.962	H5	C2	H6	108.601
H5	C2	H7	107.645	H6	C2	H7	108.155

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

using model chemistry: HF/cc-pVQZ

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	0.128
2	C	-0.209
3	O	-0.413
4	H	0.037
5	H	0.088
6	H	0.069
7	H	0.067
8	H	0.234

	x	y	z	Total
	-0.370	1.298	0.244	1.372
CHELPG
AIM
ESP

	x	y	z
x	4.772	-0.089	0.024
y	-0.089	4.182	-0.003
z	0.024	-0.003	3.620

<r²>	51.104
(<r²>)^1/2	7.149

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

using model chemistry: HF/cc-pVQZ

States and conformations

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