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	hartrees
Energy at 0K	-154.320443
Energy at 298.15K	-154.325338
HF Energy	-154.320443
Nuclear repulsion energy	74.198182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3673	3644	20.14
2	A	3045	3021	61.98
3	A	3030	3007	13.42
4	A	2978	2955	24.49
5	A	2870	2848	58.37
6	A	1468	1457	0.51
7	A	1441	1430	7.52
8	A	1414	1403	12.77
9	A	1368	1358	1.79
10	A	1245	1235	98.55
11	A	1171	1162	46.52
12	A	1031	1023	27.51
13	A	1001	993	11.14
14	A	903	896	9.55
15	A	584	579	17.23
16	A	399	396	13.53
17	A	361	358	120.51
18	A	179	177	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.090	0.512	-0.104
C2	1.236	-0.165	0.011
O3	-1.180	-0.346	0.024
H4	-0.228	1.537	0.267
H5	1.303	-1.022	-0.682
H6	2.046	0.540	-0.234
H7	1.437	-0.563	1.030
H8	-1.994	0.193	-0.015

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4937	1.3939	1.0983	2.1511	2.1401	2.1854	1.9327
C2	1.4937		2.4235	2.2594	1.1039	1.1013	1.1123	3.2500
O3	1.3939	2.4235		2.1246	2.6684	3.3559	2.8130	0.9764
H4	1.0983	2.2594	2.1246		3.1287	2.5326	2.7865	2.2376
H5	2.1511	1.1039	2.6684	3.1287		1.7866	1.7776	3.5760
H6	2.1401	1.1013	3.3559	2.5326	1.7866		1.7846	4.0608
H7	2.1854	1.1123	2.8130	2.7865	1.7776	1.7846		3.6655
H8	1.9327	3.2500	0.9764	2.2376	3.5760	4.0608	3.6655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.915	C1	C2	H6	110.206
C1	C2	H7	113.176	C1	O3	H8	107.953
C2	C1	O3	114.087	C2	C1	H4	120.546
O3	C1	H4	116.468	H5	C2	H6	108.224
H5	C2	H7	106.653	H6	C2	H7	107.456

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

using model chemistry: BLYP/6-31G**

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	0.079
2	C	-0.302
3	O	-0.445
4	H	0.059
5	H	0.109
6	H	0.097
7	H	0.097
8	H	0.305

	x	y	z	Total
	-0.629	1.098	0.258	1.291
CHELPG
AIM
ESP

	x	y	z
x	4.976	-0.152	0.054
y	-0.152	3.949	0.050
z	0.054	0.050	2.885

<r²>	52.157
(<r²>)^1/2	7.222

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

using model chemistry: BLYP/6-31G**

States and conformations

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