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	hartrees
Energy at 0K	-153.357990
Energy at 298.15K	-153.362903
HF Energy	-153.357990
Nuclear repulsion energy	74.287097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3576	3444	12.00
2	A	3158	3042	38.26
3	A	3138	3023	17.00
4	A	3099	2986	14.17
5	A	3003	2893	31.87
6	A	1558	1500	3.67
7	A	1532	1476	11.08
8	A	1468	1414	20.17
9	A	1450	1397	0.79
10	A	1286	1239	87.43
11	A	1201	1157	57.78
12	A	1080	1041	18.24
13	A	1057	1018	36.02
14	A	937	903	6.43
15	A	587	566	21.35
16	A	396	382	29.24
17	A	359	346	159.48
18	A	159	153	2.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	0.521	-0.096
C2	1.231	-0.173	0.009
O3	-1.177	-0.341	0.028
H4	-0.188	1.544	0.262
H5	1.238	-1.052	-0.645
H6	2.041	0.499	-0.293
H7	1.442	-0.525	1.033
H8	-2.016	0.176	-0.052

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4868	1.4007	1.0898	2.1246	2.1302	2.1643	1.9665
C2	1.4868		2.4142	2.2418	1.0961	1.0947	1.1032	3.2658
O3	1.4007	2.4142		2.1422	2.6066	3.3414	2.8113	0.9884
H4	1.0898	2.2418	2.1422		3.0983	2.5235	2.7444	2.3047
H5	2.1246	1.0961	2.6066	3.0983		1.7815	1.7710	3.5284
H6	2.1302	1.0947	3.3414	2.5235	1.7815		1.7791	4.0764
H7	2.1643	1.1032	2.8113	2.7444	1.7710	1.7791		3.6909
H8	1.9665	3.2658	0.9884	2.3047	3.5284	4.0764	3.6909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.757	C1	C2	H6	110.286
C1	C2	H7	112.516	C1	O3	H8	109.587
C2	C1	O3	113.418	C2	C1	H4	120.138
O3	C1	H4	118.130	H5	C2	H6	108.813
H5	C2	H7	107.268	H6	C2	H7	108.086

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

using model chemistry: HSEh1PBE/3-21G

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	0.014
2	C	-0.690
3	O	-0.555
4	H	0.182
5	H	0.238
6	H	0.219
7	H	0.222
8	H	0.370

	x	y	z	Total
	-0.639	1.336	0.233	1.499
CHELPG
AIM
ESP

	x	y	z
x	4.454	-0.065	0.038
y	-0.065	3.449	0.039
z	0.038	0.039	2.360

<r²>	51.798
(<r²>)^1/2	7.197

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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