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	hartrees
Energy at 0K	-153.483570
Energy at 298.15K	-153.488760
HF Energy	-153.483570
Nuclear repulsion energy	75.450839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4183	3579	50.82
2	A	3262	2791	96.83
3	A	3242	2774	20.53
4	A	3223	2758	39.44
5	A	3160	2704	39.96
6	A	1626	1392	1.71
7	A	1607	1375	7.62
8	A	1583	1355	18.23
9	A	1520	1301	1.52
10	A	1414	1210	183.75
11	A	1284	1099	37.29
12	A	1167	999	9.01
13	A	1138	974	38.40
14	A	991	848	7.53
15	A	783	670	10.07
16	A	443	379	12.31
17	A	372	318	171.07
18	A	208	178	5.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.098	0.514	-0.124
C2	1.222	-0.166	0.012
O3	-1.155	-0.335	0.032
H4	-0.223	1.492	0.322
H5	1.284	-1.008	-0.668
H6	2.031	0.520	-0.214
H7	1.371	-0.545	1.022
H8	-1.968	0.129	-0.048

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4917	1.3643	1.0817	2.1272	2.1312	2.1431	1.9103
C2	1.4917		2.3836	2.2209	1.0843	1.0841	1.0888	3.2044
O3	1.3643	2.3836		2.0710	2.6256	3.3078	2.7211	0.9389
H4	1.0817	2.2209	2.0710		3.0824	2.5122	2.6792	2.2451
H5	2.1272	1.0843	2.6256	3.0824		1.7603	1.7540	3.5004
H6	2.1312	1.0841	3.3078	2.5122	1.7603		1.7601	4.0214
H7	2.1431	1.0888	2.7211	2.6792	1.7540	1.7601		3.5701
H8	1.9103	3.2044	0.9389	2.2451	3.5004	4.0214	3.5701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.333	C1	C2	H6	110.674
C1	C2	H7	111.341	C1	O3	H8	110.725
C2	C1	O3	113.074	C2	C1	H4	118.440
O3	C1	H4	115.219	H5	C2	H6	108.548
H5	C2	H7	107.640	H6	C2	H7	108.198

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

using model chemistry: ROHF/6-311G*

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	0.005
2	C	-0.633
3	O	-0.620
4	H	0.179
5	H	0.222
6	H	0.208
7	H	0.212
8	H	0.427

	x	y	z	Total
	-0.467	1.454	0.183	1.538
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	51.025
(<r²>)^1/2	7.143

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

using model chemistry: ROHF/6-311G*

States and conformations

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