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	hartrees
Energy at 0K	-153.515364
Energy at 298.15K	-153.520491
HF Energy	-153.515364
Nuclear repulsion energy	75.401746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4172	3791	80.16
2	A	3262	2963	72.42
3	A	3238	2942	9.89
4	A	3205	2912	29.47
5	A	3133	2846	36.18
6	A	1610	1463	1.94
7	A	1590	1445	8.34
8	A	1568	1425	22.00
9	A	1509	1371	2.25
10	A	1385	1259	161.65
11	A	1281	1164	38.62
12	A	1142	1038	24.51
13	A	1121	1019	22.84
14	A	982	892	8.08
15	A	711	646	11.72
16	A	443	402	11.27
17	A	346	314	151.58
18	A	204	185	6.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.096	0.507	-0.111
C2	1.226	-0.165	0.011
O3	-1.161	-0.334	0.030
H4	-0.226	1.502	0.287
H5	1.292	-1.000	-0.677
H6	2.024	0.532	-0.215
H7	1.386	-0.551	1.017
H8	-1.970	0.140	-0.048

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4890	1.3641	1.0793	2.1263	2.1233	2.1428	1.9106
C2	1.4890		2.3931	2.2285	1.0842	1.0836	1.0893	3.2117
O3	1.3641	2.3931		2.0765	2.6377	3.3098	2.7405	0.9413
H4	1.0793	2.2285	2.0765		3.0817	2.5013	2.7108	2.2384
H5	2.1263	1.0842	2.6377	3.0817		1.7607	1.7557	3.5123
H6	2.1233	1.0836	3.3098	2.5013	1.7607		1.7600	4.0172
H7	2.1428	1.0893	2.7405	2.7108	1.7557	1.7600		3.5887
H8	1.9106	3.2117	0.9413	2.2384	3.5123	4.0172	3.5887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.456	C1	C2	H6	110.254
C1	C2	H7	111.475	C1	O3	H8	110.606
C2	C1	O3	113.952	C2	C1	H4	119.536
O3	C1	H4	115.905	H5	C2	H6	108.626
H5	C2	H7	107.754	H6	C2	H7	108.179

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

using model chemistry: HF/TZVP

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	0.019
2	C	-0.214
3	O	-0.403
4	H	0.060
5	H	0.092
6	H	0.078
7	H	0.082
8	H	0.285

	x	y	z	Total
	-0.347	1.445	0.202	1.500
CHELPG
AIM
ESP

	x	y	z
x	4.392	-0.048	0.036
y	-0.048	3.922	0.007
z	0.036	0.007	3.363

<r²>	51.224
(<r²>)^1/2	7.157

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

using model chemistry: HF/TZVP

States and conformations

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