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	hartrees
Energy at 0K	-154.404867
Energy at 298.15K	-154.409834
HF Energy	-154.404867
Nuclear repulsion energy	75.268890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3923	3923	64.28
2	A	3160	3160	42.52
3	A	3133	3133	7.37
4	A	3071	3071	18.40
5	A	2986	2986	38.43
6	A	1505	1505	2.57
7	A	1475	1475	24.46
8	A	1466	1466	8.42
9	A	1408	1408	0.02
10	A	1292	1292	139.57
11	A	1238	1238	28.56
12	A	1071	1071	34.84
13	A	1033	1033	4.04
14	A	946	946	7.62
15	A	540	540	16.21
16	A	413	413	9.79
17	A	367	367	125.09
18	A	197	197	4.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.501	-0.097
C2	1.225	-0.162	0.011
O3	-1.163	-0.338	0.021
H4	-0.235	1.523	0.239
H5	1.318	-0.963	-0.725
H6	2.023	0.558	-0.160
H7	1.381	-0.613	0.999
H8	-1.973	0.167	-0.008

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4791	1.3657	1.0847	2.1285	2.1175	2.1487	1.9122
C2	1.4791		2.3944	2.2413	1.0918	1.0886	1.0975	3.2151
O3	1.3657	2.3944		2.0912	2.6656	3.3149	2.7400	0.9555
H4	1.0847	2.2413	2.0912		3.0859	2.4883	2.7849	2.2182
H5	2.1285	1.0918	2.6656	3.0859		1.7685	1.7609	3.5535
H6	2.1175	1.0886	3.3149	2.4883	1.7685		1.7684	4.0184
H7	2.1487	1.0975	2.7400	2.7849	1.7609	1.7684		3.5888
H8	1.9122	3.2151	0.9555	2.2182	3.5535	4.0184	3.5888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.871	C1	C2	H6	110.189
C1	C2	H7	112.163	C1	O3	H8	109.674
C2	C1	O3	114.581	C2	C1	H4	121.139
O3	C1	H4	116.702	H5	C2	H6	108.406
H5	C2	H7	107.087	H6	C2	H7	107.978

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

using model chemistry: wB97X-D/cc-pVQZ

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	0.140
2	C	-0.034
3	O	-0.363
4	H	-0.031
5	H	0.025
6	H	0.011
7	H	0.009
8	H	0.243

	x	y	z	Total
	-0.524	1.139	0.308	1.291
CHELPG
AIM
ESP

	x	y	z
x	5.338	-0.135	0.051
y	-0.135	4.560	-0.044
z	0.051	-0.044	3.909

<r²>	51.268
(<r²>)^1/2	7.160

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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