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	hartrees
Energy at 0K	-154.356793
Energy at 298.15K	-154.361750
HF Energy	-154.356793
Nuclear repulsion energy	75.078330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3911	3723	63.64
2	A	3174	3021	48.47
3	A	3155	3003	4.46
4	A	3099	2950	15.40
5	A	3004	2860	39.89
6	A	1498	1426	2.39
7	A	1475	1404	19.83
8	A	1461	1391	21.47
9	A	1397	1330	0.11
10	A	1282	1220	151.91
11	A	1231	1172	27.68
12	A	1067	1015	30.17
13	A	1024	974	5.19
14	A	943	898	9.11
15	A	587	558	20.27
16	A	414	394	11.92
17	A	361	344	151.23
18	A	183	175	4.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.506	-0.100
C2	1.225	-0.164	0.011
O3	-1.164	-0.339	0.024
H4	-0.233	1.525	0.254
H5	1.295	-0.999	-0.693
H6	2.029	0.542	-0.212
H7	1.404	-0.572	1.017
H8	-1.982	0.163	-0.028

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4808	1.3710	1.0883	2.1306	2.1234	2.1557	1.9226
C2	1.4808		2.3954	2.2442	1.0945	1.0923	1.1012	3.2235
O3	1.3710	2.3954		2.0965	2.6454	3.3204	2.7635	0.9610
H4	1.0883	2.2442	2.0965		3.0991	2.5100	2.7680	2.2348
H5	2.1306	1.0945	2.6454	3.0991		1.7728	1.7662	3.5400
H6	2.1234	1.0923	3.3204	2.5100	1.7728		1.7726	4.0326
H7	2.1557	1.1012	2.7635	2.7680	1.7662	1.7726		3.6192
H8	1.9226	3.2235	0.9610	2.2348	3.5400	4.0326	3.6192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.751	C1	C2	H6	110.312
C1	C2	H7	112.371	C1	O3	H8	109.818
C2	C1	O3	114.217	C2	C1	H4	120.982
O3	C1	H4	116.495	H5	C2	H6	108.326
H5	C2	H7	107.096	H6	C2	H7	107.826

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

using model chemistry: mPW1PW91/6-31+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	-0.042
2	C	-0.535
3	O	-0.455
4	H	0.134
5	H	0.186
6	H	0.172
7	H	0.176
8	H	0.363

	x	y	z	Total
	-0.460	1.304	0.323	1.419
CHELPG
AIM
ESP

	x	y	z
x	4.952	-0.056	0.078
y	-0.056	4.323	-0.142
z	0.078	-0.142	3.795

<r²>	51.523
(<r²>)^1/2	7.178

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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