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	hartrees
Energy at 0K	-154.273374
Energy at 298.15K	-154.278333
HF Energy	-154.273374
Nuclear repulsion energy	75.205992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3881	3727	60.46
2	A	3155	3029	45.37
3	A	3133	3008	5.00
4	A	3075	2952	16.22
5	A	2981	2862	41.48
6	A	1489	1429	3.04
7	A	1466	1407	24.87
8	A	1455	1397	10.28
9	A	1393	1338	0.21
10	A	1282	1230	141.45
11	A	1227	1178	35.03
12	A	1067	1024	30.29
13	A	1021	980	4.15
14	A	941	903	10.51
15	A	568	545	20.42
16	A	414	398	11.36
17	A	358	344	139.96
18	A	190	182	4.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.090	0.502	-0.095
C2	1.223	-0.163	0.010
O3	-1.164	-0.338	0.023
H4	-0.230	1.526	0.241
H5	1.295	-0.997	-0.694
H6	2.024	0.544	-0.213
H7	1.407	-0.573	1.015
H8	-1.976	0.172	-0.024

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4753	1.3686	1.0873	2.1265	2.1179	2.1514	1.9154
C2	1.4753		2.3932	2.2396	1.0940	1.0913	1.1008	3.2160
O3	1.3686	2.3932		2.0971	2.6444	3.3163	2.7654	0.9600
H4	1.0873	2.2396	2.0971		3.0926	2.5001	2.7717	2.2255
H5	2.1265	1.0940	2.6444	3.0926		1.7712	1.7648	3.5370
H6	2.1179	1.0913	3.3163	2.5001	1.7712		1.7706	4.0214
H7	2.1514	1.1008	2.7654	2.7717	1.7648	1.7706		3.6158
H8	1.9154	3.2160	0.9600	2.2255	3.5370	4.0214	3.6158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.845	C1	C2	H6	110.318
C1	C2	H7	112.442	C1	O3	H8	109.430
C2	C1	O3	114.549	C2	C1	H4	121.090
O3	C1	H4	116.811	H5	C2	H6	108.284
H5	C2	H7	107.038	H6	C2	H7	107.745

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

using model chemistry: HSEh1PBE/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	-0.086
2	C	-0.341
3	O	-0.322
4	H	0.099
5	H	0.132
6	H	0.119
7	H	0.120
8	H	0.280

	x	y	z	Total
	-0.525	1.261	0.300	1.398
CHELPG
AIM
ESP

	x	y	z
x	5.028	-0.109	0.086
y	-0.109	4.306	-0.055
z	0.086	-0.055	3.659

<r²>	51.373
(<r²>)^1/2	7.167

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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