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	hartrees
Energy at 0K	-154.232279
Energy at 298.15K	-154.237276
HF Energy	-154.082224
Nuclear repulsion energy	74.862074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3868	3684	58.60
2	A	3180	3029	51.23
3	A	3160	3010	5.48
4	A	3112	2963	16.60
5	A	3019	2876	37.25
6	A	1517	1444	1.80
7	A	1493	1422	10.95
8	A	1467	1398	22.90
9	A	1412	1345	1.62
10	A	1280	1219	113.33
11	A	1214	1156	53.46
12	A	1070	1019	31.91
13	A	1044	994	10.29
14	A	941	896	10.62
15	A	626	596	18.06
16	A	417	397	11.56
17	A	366	348	147.69
18	A	188	179	4.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.089	0.513	-0.107
C2	1.227	-0.166	0.012
O3	-1.167	-0.341	0.024
H4	-0.230	1.522	0.271
H5	1.290	-1.006	-0.684
H6	2.034	0.532	-0.215
H7	1.398	-0.565	1.022
H8	-1.987	0.165	-0.016

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4853	1.3815	1.0869	2.1308	2.1256	2.1554	1.9324
C2	1.4853		2.4004	2.2453	1.0928	1.0913	1.0995	3.2314
O3	1.3815	2.4004		2.0998	2.6419	3.3266	2.7612	0.9643
H4	1.0869	2.2453	2.0998		3.1007	2.5185	2.7517	2.2388
H5	2.1308	1.0928	2.6419	3.1007		1.7724	1.7660	3.5434
H6	2.1256	1.0913	3.3266	2.5185	1.7724		1.7720	4.0431
H7	2.1554	1.0995	2.7612	2.7517	1.7660	1.7720		3.6149
H8	1.9324	3.2314	0.9643	2.2388	3.5434	4.0431	3.6149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.561	C1	C2	H6	110.235
C1	C2	H7	112.135	C1	O3	H8	109.652
C2	C1	O3	113.665	C2	C1	H4	120.811
O3	C1	H4	116.056	H5	C2	H6	108.484
H5	C2	H7	107.323	H6	C2	H7	107.970

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

using model chemistry: B2PLYP/6-31+G**

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	-0.008
2	C	-0.444
3	O	-0.479
4	H	0.114
5	H	0.162
6	H	0.147
7	H	0.153
8	H	0.356

	x	y	z	Total
	-0.427	1.332	0.364	1.446
CHELPG
AIM
ESP

	x	y	z
x	4.959	-0.016	0.058
y	-0.016	4.334	-0.144
z	0.058	-0.144	3.820

<r²>	51.876
(<r²>)^1/2	7.203

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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