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	hartrees
Energy at 0K	-153.388080
Energy at 298.15K	-153.393187
HF Energy	-153.388080
Nuclear repulsion energy	74.837393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4049	3625	47.09
2	A	3300	2954	77.03
3	A	3273	2931	8.51
4	A	3245	2905	30.33
5	A	3177	2844	25.19
6	A	1650	1477	3.67
7	A	1633	1462	7.50
8	A	1591	1424	20.50
9	A	1537	1376	9.70
10	A	1367	1223	121.35
11	A	1264	1131	57.91
12	A	1178	1055	10.51
13	A	1146	1026	67.10
14	A	991	887	12.81
15	A	736	659	12.01
16	A	441	395	16.16
17	A	347	311	225.53
18	A	186	167	7.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	0.527	-0.110
C2	1.228	-0.176	0.010
O3	-1.170	-0.328	0.034
H4	-0.202	1.516	0.298
H5	1.268	-1.011	-0.679
H6	2.045	0.498	-0.216
H7	1.378	-0.568	1.012
H8	-2.016	0.086	-0.080

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4890	1.3928	1.0776	2.1220	2.1272	2.1410	1.9863
C2	1.4890		2.4023	2.2338	1.0830	1.0831	1.0871	3.2557
O3	1.3928	2.4023		2.0998	2.6295	3.3283	2.7394	0.9494
H4	1.0776	2.2338	2.0998		3.0824	2.5194	2.7113	2.3413
H5	2.1220	1.0830	2.6295	3.0824		1.7596	1.7512	3.5136
H6	2.1272	1.0831	3.3283	2.5194	1.7596		1.7584	4.0841
H7	2.1410	1.0871	2.7394	2.7113	1.7512	1.7584		3.6252
H8	1.9863	3.2557	0.9494	2.3413	3.5136	4.0841	3.6252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.190	C1	C2	H6	110.595
C1	C2	H7	111.466	C1	O3	H8	114.681
C2	C1	O3	112.902	C2	C1	H4	120.147
O3	C1	H4	115.838	H5	C2	H6	108.653
H5	C2	H7	107.599	H6	C2	H7	108.235

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

using model chemistry: ROHF/6-31G

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	0.185
2	C	-0.496
3	O	-0.747
4	H	0.136
5	H	0.182
6	H	0.155
7	H	0.171
8	H	0.413

	x	y	z	Total
	-0.269	1.748	0.026	1.768
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>	51.618
(<r²>)^1/2	7.185

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

using model chemistry: ROHF/6-31G

States and conformations

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