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	hartrees
Energy at 0K	-154.335094
Energy at 298.15K	-154.339978
HF Energy	-154.335094
Nuclear repulsion energy	74.113343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3686	3667	40.15
2	A	3055	3038	53.14
3	A	3032	3016	7.93
4	A	2975	2959	17.87
5	A	2867	2852	59.02
6	A	1454	1446	1.80
7	A	1431	1423	10.83
8	A	1397	1389	16.93
9	A	1355	1348	1.68
10	A	1226	1219	86.53
11	A	1153	1147	69.35
12	A	1024	1019	32.88
13	A	993	988	10.08
14	A	896	891	11.23
15	A	566	563	20.24
16	A	401	399	12.04
17	A	364	362	139.77
18	A	179	178	3.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.087	0.514	-0.102
C2	1.238	-0.167	0.011
O3	-1.182	-0.345	0.023
H4	-0.233	1.539	0.260
H5	1.312	-1.011	-0.696
H6	2.050	0.544	-0.213
H7	1.424	-0.580	1.027
H8	-2.006	0.178	-0.014

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4938	1.3975	1.0971	2.1528	2.1394	2.1806	1.9508
C2	1.4938		2.4265	2.2665	1.1041	1.1016	1.1126	3.2625
O3	1.3975	2.4265		2.1226	2.6794	3.3597	2.8022	0.9763
H4	1.0971	2.2665	2.1226		3.1314	2.5351	2.7975	2.2523
H5	2.1528	1.1041	2.6794	3.1314		1.7876	1.7801	3.5896
H6	2.1394	1.1016	3.3597	2.5351	1.7876		1.7871	4.0771
H7	2.1806	1.1126	2.8022	2.7975	1.7801	1.7871		3.6635
H8	1.9508	3.2625	0.9763	2.2523	3.5896	4.0771	3.6635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.036	C1	C2	H6	110.118
C1	C2	H7	112.755	C1	O3	H8	109.242
C2	C1	O3	114.083	C2	C1	H4	121.276
O3	C1	H4	116.095	H5	C2	H6	108.276
H5	C2	H7	106.842	H6	C2	H7	107.628

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

using model chemistry: BLYP/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	-0.030
2	C	-0.463
3	O	-0.428
4	H	0.110
5	H	0.163
6	H	0.150
7	H	0.154
8	H	0.345

	x	y	z	Total
	-0.460	1.237	0.384	1.374
CHELPG
AIM
ESP

	x	y	z
x	5.514	-0.106	0.130
y	-0.106	4.712	-0.225
z	0.130	-0.225	4.213

<r²>	52.860
(<r²>)^1/2	7.270

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

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

States and conformations

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