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	hartrees
Energy at 0K	-154.320310
Energy at 298.15K	-154.325172
HF Energy	-154.320310
Nuclear repulsion energy	74.081516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3632	3638	31.71
2	A	3029	3033	48.97
3	A	3012	3016	22.47
4	A	2958	2962	23.57
5	A	2840	2844	69.43
6	A	1422	1424	1.51
7	A	1401	1403	13.88
8	A	1385	1387	3.40
9	A	1336	1338	0.78
10	A	1229	1231	111.08
11	A	1162	1164	38.45
12	A	1021	1023	23.80
13	A	980	982	6.23
14	A	899	901	10.60
15	A	556	556	15.99
16	A	394	394	13.19
17	A	366	367	108.44
18	A	169	169	2.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.512	-0.104
C2	1.236	-0.164	0.012
O3	-1.180	-0.348	0.020
H4	-0.230	1.548	0.257
H5	1.299	-1.037	-0.674
H6	2.053	0.540	-0.245
H7	1.442	-0.555	1.042
H8	-1.993	0.197	0.010

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4941	1.3925	1.1063	2.1579	2.1493	2.1914	1.9312
C2	1.4941		2.4231	2.2675	1.1119	1.1086	1.1210	3.2494
O3	1.3925	2.4231		2.1336	2.6652	3.3632	2.8215	0.9786
H4	1.1063	2.2675	2.1336		3.1445	2.5460	2.7991	2.2351
H5	2.1579	1.1119	2.6652	3.1445		1.7996	1.7884	3.5818
H6	2.1493	1.1086	3.3632	2.5460	1.7996		1.7970	4.0689
H7	2.1914	1.1210	2.8215	2.7991	1.7884	1.7970		3.6646
H8	1.9312	3.2494	0.9786	2.2351	3.5818	4.0689	3.6646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.948	C1	C2	H6	110.468
C1	C2	H7	113.080	C1	O3	H8	107.788
C2	C1	O3	114.117	C2	C1	H4	120.658
O3	C1	H4	116.800	H5	C2	H6	108.281
H5	C2	H7	106.436	H6	C2	H7	107.405

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

using model chemistry: BLYP/cc-pVDZ

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	-0.048
2	C	0.034
3	O	-0.156
4	H	-0.017
5	H	0.020
6	H	0.012
7	H	0.012
8	H	0.144

	x	y	z	Total
	-0.712	1.008	0.304	1.271
CHELPG
AIM
ESP

	x	y	z
x	5.221	-0.221	0.077
y	-0.221	4.158	0.048
z	0.077	0.048	3.110

<r²>	52.394
(<r²>)^1/2	7.238

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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