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	hartrees
Energy at 0K	-153.476683
Energy at 298.15K	-153.481584
HF Energy	-153.476683
Nuclear repulsion energy	74.268963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3451	17.74
2	A	3172	3006	34.50
3	A	3152	2987	20.35
4	A	3115	2952	14.78
5	A	3028	2870	28.41
6	A	1562	1481	4.09
7	A	1542	1462	10.76
8	A	1479	1401	22.01
9	A	1459	1383	0.42
10	A	1294	1227	91.18
11	A	1210	1147	55.68
12	A	1087	1030	16.36
13	A	1063	1008	44.98
14	A	937	888	4.55
15	A	580	549	21.03
16	A	399	378	22.39
17	A	359	340	173.75
18	A	156	147	3.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.082	0.519	-0.098
C2	1.234	-0.173	0.010
O3	-1.179	-0.341	0.026
H4	-0.193	1.541	0.262
H5	1.259	-1.034	-0.666
H6	2.043	0.512	-0.261
H7	1.425	-0.547	1.028
H8	-2.016	0.171	-0.043

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4915	1.3992	1.0892	2.1294	2.1315	2.1630	1.9653
C2	1.4915		2.4194	2.2445	1.0951	1.0936	1.1014	3.2688
O3	1.3992	2.4194		2.1376	2.6275	3.3453	2.7979	0.9833
H4	1.0892	2.2445	2.1376		3.0986	2.5161	2.7503	2.3005
H5	2.1294	1.0951	2.6275	3.0986		1.7804	1.7703	3.5447
H6	2.1315	1.0936	3.3453	2.5161	1.7804		1.7789	4.0788
H7	2.1630	1.1014	2.7979	2.7503	1.7703	1.7789		3.6746
H8	1.9653	3.2688	0.9833	2.3005	3.5447	4.0788	3.6746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.877	C1	C2	H6	110.130
C1	C2	H7	112.188	C1	O3	H8	109.919
C2	C1	O3	113.601	C2	C1	H4	120.053
O3	C1	H4	117.874	H5	C2	H6	108.871
H5	C2	H7	107.406	H6	C2	H7	108.272

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

using model chemistry: wB97X-D/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	-0.672
3	O	-0.561
4	H	0.180
5	H	0.234
6	H	0.214
7	H	0.218
8	H	0.374

	x	y	z	Total
	-0.652	1.359	0.271	1.531
CHELPG
AIM
ESP

	x	y	z
x	4.354	-0.039	0.019
y	-0.039	3.432	0.047
z	0.019	0.047	2.358

<r²>	51.821
(<r²>)^1/2	7.199

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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