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	hartrees
Energy at 0K	-151.541738
Energy at 298.15K	-151.546486
HF Energy	-151.541738
Nuclear repulsion energy	73.643188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3301	11.53
2	A	3445	3085	0.04
3	A	3383	3029	1.23
4	A	3349	2999	3.85
5	A	3236	2898	4.38
6	A	1648	1476	4.37
7	A	1622	1452	8.09
8	A	1563	1400	13.86
9	A	1517	1358	0.05
10	A	1393	1247	70.20
11	A	1278	1144	2.46
12	A	1118	1001	6.74
13	A	1094	980	2.93
14	A	990	887	3.93
15	A	587	526	7.58
16	A	451	404	80.74
17	A	384	343	23.61
18	A	129	116	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.510	-0.109
C2	1.244	-0.164	0.015
O3	-1.189	-0.359	0.020
H4	-0.211	1.543	0.264
H5	1.222	-1.144	-0.488
H6	2.026	0.451	-0.461
H7	1.559	-0.338	1.064
H8	-1.993	0.283	0.028

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5024	1.4047	1.1044	2.1473	2.1484	2.1970	1.9187
C2	1.5024		2.4407	2.2566	1.1022	1.1026	1.1093	3.2679
O3	1.4047	2.4407		2.1521	2.5864	3.3496	2.9399	1.0293
H4	1.1044	2.2566	2.1521		3.1371	2.5928	2.7041	2.1948
H5	2.1473	1.1022	2.5864	3.1371		1.7859	1.7815	3.5559
H6	2.1484	1.1026	3.3496	2.5928	1.7859		1.7797	4.0519
H7	2.1970	1.1093	2.9399	2.7041	1.7815	1.7797		3.7523
H8	1.9187	3.2679	1.0293	2.1948	3.5559	4.0519	3.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.112	C1	C2	H6	110.174
C1	C2	H7	113.685	C1	O3	H8	102.960
C2	C1	O3	114.142	C2	C1	H4	119.132
O3	C1	H4	117.627	H5	C2	H6	108.195
H5	C2	H7	107.326	H6	C2	H7	107.148

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

using model chemistry: LSDA/STO-3G

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	-0.077
2	C	-0.292
3	O	-0.193
4	H	0.063
5	H	0.100
6	H	0.097
7	H	0.089
8	H	0.213

	x	y	z	Total
	-0.830	0.892	0.370	1.273
CHELPG
AIM
ESP

	x	y	z
x	3.051	-0.010	-0.049
y	-0.010	1.909	0.033
z	-0.049	0.033	1.139

<r²>	51.568
(<r²>)^1/2	7.181

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

using model chemistry: LSDA/STO-3G

States and conformations

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