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	hartrees
Energy at 0K	-152.597366
Energy at 298.15K	-152.602424
HF Energy	-152.597366
Nuclear repulsion energy	74.543286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3890	3534	27.99
2	A	3283	2983	55.07
3	A	3261	2963	22.34
4	A	3245	2948	20.98
5	A	3185	2893	18.94
6	A	1666	1514	3.76
7	A	1648	1497	6.59
8	A	1576	1432	17.75
9	A	1535	1395	9.25
10	A	1369	1244	121.85
11	A	1248	1134	32.21
12	A	1180	1072	8.21
13	A	1119	1017	79.74
14	A	961	873	4.09
15	A	756	687	11.23
16	A	420	382	15.77
17	A	332	301	194.78
18	A	179	163	5.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.083	0.533	-0.115
C2	1.232	-0.178	0.009
O3	-1.172	-0.334	0.036
H4	-0.186	1.515	0.317
H5	1.249	-1.027	-0.662
H6	2.049	0.488	-0.240
H7	1.382	-0.548	1.020
H8	-2.015	0.117	-0.092

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4992	1.4003	1.0782	2.1230	2.1354	2.1448	1.9763
C2	1.4992		2.4088	2.2297	1.0828	1.0829	1.0870	3.2613
O3	1.4003	2.4088		2.1143	2.6134	3.3352	2.7448	0.9647
H4	1.0782	2.2297	2.1143		3.0796	2.5221	2.6850	2.3377
H5	2.1230	1.0828	2.6134	3.0796		1.7642	1.7542	3.5053
H6	2.1354	1.0829	3.3352	2.5221	1.7642		1.7625	4.0828
H7	2.1448	1.0870	2.7448	2.6850	1.7542	1.7625		3.6353
H8	1.9763	3.2613	0.9647	2.3377	3.5053	4.0828	3.6353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.555	C1	C2	H6	110.549
C1	C2	H7	111.053	C1	O3	H8	112.052
C2	C1	O3	112.310	C2	C1	H4	118.879
O3	C1	H4	116.492	H5	C2	H6	109.095
H5	C2	H7	107.890	H6	C2	H7	108.634

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

using model chemistry: ROHF/3-21G*

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	0.120
2	C	-0.655
3	O	-0.688
4	H	0.178
5	H	0.232
6	H	0.205
7	H	0.220
8	H	0.389

	x	y	z	Total
	-0.334	1.595	0.043	1.630
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>	51.734
(<r²>)^1/2	7.193

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

using model chemistry: ROHF/3-21G*

States and conformations

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