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	hartrees
Energy at 0K	-154.398673
Energy at 298.15K	-154.403620
HF Energy	-154.398673
Nuclear repulsion energy	74.746083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3703	56.10
2	A	3139	3027	49.82
3	A	3114	3003	8.03
4	A	3060	2951	17.18
5	A	2964	2857	46.30
6	A	1493	1439	1.67
7	A	1471	1418	12.62
8	A	1446	1394	22.11
9	A	1394	1344	0.97
10	A	1266	1221	125.26
11	A	1206	1163	48.45
12	A	1056	1018	33.26
13	A	1022	986	8.04
14	A	929	896	9.56
15	A	586	565	19.87
16	A	413	398	11.66
17	A	364	351	148.15
18	A	183	176	3.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.090	0.509	-0.101
C2	1.230	-0.165	0.011
O3	-1.171	-0.340	0.024
H4	-0.234	1.528	0.257
H5	1.300	-1.004	-0.691
H6	2.036	0.540	-0.215
H7	1.412	-0.572	1.021
H8	-1.992	0.164	-0.022

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4861	1.3803	1.0898	2.1377	2.1290	2.1634	1.9353
C2	1.4861		2.4072	2.2516	1.0965	1.0944	1.1039	3.2395
O3	1.3803	2.4072		2.1033	2.6564	3.3340	2.7777	0.9655
H4	1.0898	2.2516	2.1033		3.1089	2.5199	2.7749	2.2430
H5	2.1377	1.0965	2.6564	3.1089		1.7763	1.7691	3.5573
H6	2.1290	1.0944	3.3340	2.5199	1.7763		1.7756	4.0506
H7	2.1634	1.1039	2.7777	2.7749	1.7691	1.7756		3.6355
H8	1.9353	3.2395	0.9655	2.2430	3.5573	4.0506	3.6355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.834	C1	C2	H6	110.269
C1	C2	H7	112.454	C1	O3	H8	109.915
C2	C1	O3	114.189	C2	C1	H4	121.109
O3	C1	H4	116.254	H5	C2	H6	108.340
H5	C2	H7	107.026	H6	C2	H7	107.752

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

using model chemistry: B3LYP/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	-0.014
2	C	-0.466
3	O	-0.460
4	H	0.114
5	H	0.165
6	H	0.151
7	H	0.156
8	H	0.354

	x	y	z	Total
	-0.457	1.295	0.344	1.415
CHELPG
AIM
ESP

	x	y	z
x	5.112	-0.063	0.089
y	-0.063	4.434	-0.166
z	0.089	-0.166	3.926

<r²>	52.043
(<r²>)^1/2	7.214

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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