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	hartrees
Energy at 0K	-154.348435
Energy at 298.15K	-154.353406
HF Energy	-154.348435
Nuclear repulsion energy	75.168952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3925	3925	69.68
2	A	3147	3147	42.71
3	A	3132	3132	4.52
4	A	3083	3083	14.76
5	A	3008	3008	29.18
6	A	1501	1501	3.27
7	A	1472	1472	20.32
8	A	1464	1464	13.89
9	A	1397	1397	0.31
10	A	1295	1295	164.91
11	A	1229	1229	20.17
12	A	1071	1071	28.24
13	A	1034	1034	5.56
14	A	944	944	8.43
15	A	606	606	16.07
16	A	413	413	14.09
17	A	374	374	137.28
18	A	168	168	3.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.511	-0.106
C2	1.223	-0.164	0.012
O3	-1.159	-0.341	0.024
H4	-0.230	1.522	0.268
H5	1.284	-0.998	-0.693
H6	2.032	0.534	-0.204
H7	1.384	-0.575	1.018
H8	-1.974	0.163	-0.018

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4843	1.3696	1.0871	2.1259	2.1289	2.1513	1.9137
C2	1.4843		2.3881	2.2408	1.0931	1.0905	1.0989	3.2135
O3	1.3696	2.3881		2.0960	2.6294	3.3167	2.7405	0.9593
H4	1.0871	2.2408	2.0960		3.0931	2.5139	2.7514	2.2293
H5	2.1259	1.0931	2.6294	3.0931		1.7731	1.7649	3.5239
H6	2.1289	1.0905	3.3167	2.5139	1.7731		1.7729	4.0277
H7	2.1513	1.0989	2.7405	2.7514	1.7649	1.7729		3.5914
H8	1.9137	3.2135	0.9593	2.2293	3.5239	4.0277	3.5914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.217	C1	C2	H6	110.611
C1	C2	H7	111.907	C1	O3	H8	109.249
C2	C1	O3	113.546	C2	C1	H4	120.468
O3	C1	H4	116.656	H5	C2	H6	108.582
H5	C2	H7	107.250	H6	C2	H7	108.149

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

using model chemistry: M06-2X/6-311G**

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	-0.049
2	C	-0.401
3	O	-0.362
4	H	0.116
5	H	0.150
6	H	0.138
7	H	0.142
8	H	0.267

	x	y	z	Total
	-0.555	1.250	0.292	1.398
CHELPG
AIM
ESP

	x	y	z
x	4.771	-0.133	0.039
y	-0.133	3.968	0.023
z	0.039	0.023	3.181

<r²>	51.234
(<r²>)^1/2	7.158

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

using model chemistry: M06-2X/6-311G**

States and conformations

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