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	hartrees
Energy at 0K	-153.532154
Energy at 298.15K	-153.537278
HF Energy	-153.532154
Nuclear repulsion energy	75.518830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4181	3799	87.45
2	A	3256	2958	62.51
3	A	3228	2932	12.61
4	A	3193	2901	26.65
5	A	3121	2836	37.42
6	A	1606	1459	1.93
7	A	1588	1442	7.60
8	A	1566	1423	20.30
9	A	1508	1370	1.91
10	A	1385	1259	157.28
11	A	1283	1165	40.84
12	A	1139	1035	28.26
13	A	1117	1015	14.97
14	A	982	892	8.06
15	A	698	634	12.54
16	A	442	401	10.05
17	A	349	317	130.96
18	A	205	186	5.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.098	0.506	-0.111
C2	1.226	-0.164	0.012
O3	-1.159	-0.334	0.026
H4	-0.231	1.501	0.279
H5	1.297	-0.994	-0.681
H6	2.022	0.536	-0.205
H7	1.383	-0.557	1.015
H8	-1.968	0.138	-0.023

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4881	1.3602	1.0774	2.1253	2.1218	2.1418	1.9083
C2	1.4881		2.3904	2.2282	1.0831	1.0821	1.0882	3.2082
O3	1.3602	2.3904		2.0723	2.6389	3.3056	2.7361	0.9384
H4	1.0774	2.2282	2.0723		3.0787	2.4980	2.7166	2.2291
H5	2.1253	1.0831	2.6389	3.0787		1.7584	1.7527	3.5174
H6	2.1218	1.0821	3.3056	2.4980	1.7584		1.7575	4.0139
H7	2.1418	1.0882	2.7361	2.7166	1.7527	1.7575		3.5762
H8	1.9083	3.2082	0.9384	2.2291	3.5174	4.0139	3.5762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.509	C1	C2	H6	110.288
C1	C2	H7	111.532	C1	O3	H8	110.903
C2	C1	O3	114.042	C2	C1	H4	119.721
O3	C1	H4	115.964	H5	C2	H6	108.608
H5	C2	H7	107.649	H6	C2	H7	108.152

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

using model chemistry: HF/aug-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	-0.010
2	C	-0.768
3	O	-0.705
4	H	0.392
5	H	0.270
6	H	0.257
7	H	0.254
8	H	0.310

	x	y	z	Total
	-0.346	1.297	0.260	1.367
CHELPG
AIM
ESP

	x	y	z
x	4.942	-0.066	0.019
y	-0.066	4.364	-0.054
z	0.019	-0.054	3.913

<r²>	51.152
(<r²>)^1/2	7.152

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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