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	hartrees
Energy at 0K	-154.250338
Energy at 298.15K	-154.255291
HF Energy	-154.250338
Nuclear repulsion energy	74.540851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3762	32.10
2	A	3182	3182	46.73
3	A	3161	3161	5.15
4	A	3112	3112	17.77
5	A	3026	3026	28.89
6	A	1541	1541	3.34
7	A	1516	1516	11.96
8	A	1486	1486	26.40
9	A	1446	1446	0.54
10	A	1279	1279	104.86
11	A	1222	1222	69.72
12	A	1090	1090	40.85
13	A	1066	1066	11.58
14	A	953	953	12.68
15	A	553	553	19.12
16	A	422	422	85.97
17	A	393	393	133.57
18	A	161	161	3.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	0.520	-0.092
C2	1.229	-0.172	0.009
O3	-1.173	-0.336	0.024
H4	-0.213	1.545	0.243
H5	1.263	-1.018	-0.684
H6	2.044	0.513	-0.236
H7	1.413	-0.572	1.018
H8	-2.024	0.129	-0.037

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4831	1.3938	1.0870	2.1252	2.1275	2.1569	1.9852
C2	1.4831		2.4074	2.2543	1.0945	1.0924	1.1005	3.2676
O3	1.3938	2.4074		2.1232	2.6269	3.3369	2.7804	0.9722
H4	1.0870	2.2543	2.1232		3.0996	2.5272	2.7802	2.3163
H5	2.1252	1.0945	2.6269	3.0996		1.7760	1.7656	3.5416
H6	2.1275	1.0924	3.3369	2.5272	1.7760		1.7741	4.0911
H7	2.1569	1.1005	2.7804	2.7802	1.7656	1.7741		3.6635
H8	1.9852	3.2676	0.9722	2.3163	3.5416	4.0911	3.6635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.160	C1	C2	H6	110.472
C1	C2	H7	112.355	C1	O3	H8	112.866
C2	C1	O3	113.572	C2	C1	H4	121.843
O3	C1	H4	117.179	H5	C2	H6	108.605
H5	C2	H7	107.109	H6	C2	H7	108.004

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

using model chemistry: M06-2X/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	0.089
2	C	-0.482
3	O	-0.621
4	H	0.130
5	H	0.175
6	H	0.155
7	H	0.162
8	H	0.393

	x	y	z	Total
	-0.534	1.549	0.201	1.650
CHELPG
AIM
ESP

	x	y	z
x	4.466	-0.013	0.020
y	-0.013	3.640	0.029
z	0.020	0.029	2.584

<r²>	51.759
(<r²>)^1/2	7.194

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

using model chemistry: M06-2X/6-31G

States and conformations

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