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	hartrees
Energy at 0K	-153.357990
Energy at 298.15K	-153.362895
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	3432	12.00
2	A	3158	3031	38.26
3	A	3138	3012	17.00
4	A	3099	2975	14.17
5	A	3003	2883	31.87
6	A	1558	1495	3.67
7	A	1532	1471	11.08
8	A	1468	1409	20.17
9	A	1450	1392	0.79
10	A	1286	1235	87.43
11	A	1201	1153	57.78
12	A	1080	1037	18.24
13	A	1057	1014	36.02
14	A	937	900	6.43
15	A	587	564	21.35
16	A	396	381	29.24
17	A	359	345	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)