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	hartrees
Energy at 0K	-154.347191
Energy at 298.15K	-154.352167
HF Energy	-154.347191
Nuclear repulsion energy	75.332651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3906	3750	61.05
2	A	3149	3024	53.22
3	A	3134	3009	9.74
4	A	3081	2958	20.66
5	A	2982	2863	48.38
6	A	1493	1433	3.44
7	A	1470	1411	22.47
8	A	1457	1399	8.87
9	A	1389	1334	0.45
10	A	1289	1238	160.65
11	A	1231	1182	17.48
12	A	1066	1024	28.47
13	A	1021	980	5.01
14	A	943	905	9.17
15	A	588	564	17.96
16	A	409	393	11.95
17	A	372	357	136.02
18	A	185	177	2.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.504	-0.101
C2	1.220	-0.162	0.011
O3	-1.160	-0.340	0.022
H4	-0.232	1.521	0.254
H5	1.281	-1.010	-0.673
H6	2.023	0.533	-0.232
H7	1.409	-0.551	1.022
H8	-1.967	0.174	-0.008

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4763	1.3658	1.0865	2.1228	2.1200	2.1518	1.9049
C2	1.4763		2.3868	2.2358	1.0921	1.0895	1.0994	3.2047
O3	1.3658	2.3868		2.0922	2.6251	3.3103	2.7647	0.9572
H4	1.0865	2.2358	2.0922		3.0912	2.5090	2.7526	2.2118
H5	2.1228	1.0921	2.6251	3.0912		1.7689	1.7612	3.5204
H6	2.1200	1.0895	3.3103	2.5090	1.7689		1.7681	4.0121
H7	2.1518	1.0994	2.7647	2.7526	1.7612	1.7681		3.6033
H8	1.9049	3.2047	0.9572	2.2118	3.5204	4.0121	3.6033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.595	C1	C2	H6	110.524
C1	C2	H7	112.496	C1	O3	H8	108.906
C2	C1	O3	114.183	C2	C1	H4	120.725
O3	C1	H4	116.659	H5	C2	H6	108.351
H5	C2	H7	106.955	H6	C2	H7	107.749

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

using model chemistry: B1B95/6-311G**

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	-0.066
2	C	-0.347
3	O	-0.327
4	H	0.101
5	H	0.135
6	H	0.124
7	H	0.124
8	H	0.256

	x	y	z	Total
	-0.623	1.190	0.311	1.378
CHELPG
AIM
ESP

	x	y	z
x	4.885	-0.162	0.069
y	-0.162	4.039	0.013
z	0.069	0.013	3.218

<r²>	51.038
(<r²>)^1/2	7.144

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

using model chemistry: B1B95/6-311G**

States and conformations

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