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	hartrees
Energy at 0K	-153.461535
Energy at 298.15K	-153.466687
HF Energy	-153.461535
Nuclear repulsion energy	75.376938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4198	3587	68.19
2	A	3269	2793	75.77
3	A	3248	2776	27.42
4	A	3232	2762	34.17
5	A	3165	2705	30.67
6	A	1622	1386	1.83
7	A	1602	1369	5.58
8	A	1580	1350	22.18
9	A	1517	1297	2.45
10	A	1397	1194	177.23
11	A	1292	1104	29.80
12	A	1161	992	8.16
13	A	1133	968	39.16
14	A	993	849	6.94
15	A	775	662	9.76
16	A	443	379	11.34
17	A	347	297	154.47
18	A	206	176	5.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.098	0.514	-0.121
C2	1.224	-0.166	0.012
O3	-1.156	-0.335	0.032
H4	-0.221	1.496	0.317
H5	1.284	-1.006	-0.672
H6	2.030	0.523	-0.214
H7	1.375	-0.549	1.021
H8	-1.969	0.134	-0.051

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4929	1.3654	1.0820	2.1276	2.1305	2.1455	1.9103
C2	1.4929		2.3862	2.2228	1.0851	1.0847	1.0891	3.2077
O3	1.3654	2.3862		2.0759	2.6274	3.3093	2.7255	0.9424
H4	1.0820	2.2228	2.0759		3.0827	2.5085	2.6866	2.2464
H5	2.1276	1.0851	2.6274	3.0827		1.7624	1.7559	3.5033
H6	2.1305	1.0847	3.3093	2.5085	1.7624		1.7613	4.0215
H7	2.1455	1.0891	2.7255	2.6866	1.7559	1.7613		3.5770
H8	1.9103	3.2077	0.9424	2.2464	3.5033	4.0215	3.5770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.236	C1	C2	H6	110.490
C1	C2	H7	111.431	C1	O3	H8	110.394
C2	C1	O3	113.120	C2	C1	H4	118.497
O3	C1	H4	115.555	H5	C2	H6	108.629
H5	C2	H7	107.725	H6	C2	H7	108.234

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	0.154
2	C	-0.361
3	O	-0.603
4	H	0.092
5	H	0.134
6	H	0.116
7	H	0.124
8	H	0.346

	x	y	z	Total
	-0.401	1.392	0.128	1.454
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>	50.977
(<r²>)^1/2	7.140

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)