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	hartrees
Energy at 0K	-154.263197
Energy at 298.15K
HF Energy	-154.098556
Nuclear repulsion energy	75.029930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3840	3840	33.92
2	A	3148	3148	64.13
3	A	3133	3133	12.02
4	A	3089	3089	23.08
5	A	2998	2998	46.16
6	A	1528	1528	1.89
7	A	1502	1502	12.22
8	A	1482	1482	14.97
9	A	1424	1424	0.94
10	A	1313	1313	137.71
11	A	1223	1223	41.65
12	A	1084	1084	28.36
13	A	1051	1051	11.61
14	A	945	945	8.43
15	A	632	632	17.27
16	A	418	418	21.72
17	A	390	390	147.14
18	A	186	186	3.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.511	-0.109
C2	1.224	-0.164	0.012
O3	-1.163	-0.341	0.024
H4	-0.230	1.520	0.275
H5	1.283	-1.015	-0.671
H6	2.033	0.526	-0.230
H7	1.402	-0.551	1.026
H8	-1.977	0.167	-0.012

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4844	1.3751	1.0881	2.1291	2.1288	2.1559	1.9190
C2	1.4844		2.3943	2.2407	1.0925	1.0908	1.0994	3.2191
O3	1.3751	2.3943		2.0967	2.6304	3.3220	2.7625	0.9604
H4	1.0881	2.2407	2.0967		3.0994	2.5228	2.7419	2.2281
H5	2.1291	1.0925	2.6304	3.0994		1.7704	1.7631	3.5298
H6	2.1288	1.0908	3.3220	2.5228	1.7704		1.7706	4.0328
H7	2.1559	1.0994	2.7625	2.7419	1.7631	1.7706		3.6078
H8	1.9190	3.2191	0.9604	2.2281	3.5298	4.0328	3.6078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.506	C1	C2	H6	110.589
C1	C2	H7	112.254	C1	O3	H8	109.210
C2	C1	O3	113.663	C2	C1	H4	120.374
O3	C1	H4	116.202	H5	C2	H6	108.358
H5	C2	H7	107.092	H6	C2	H7	107.885

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

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