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	hartrees
Energy at 0K	-154.216028
Energy at 298.15K	-154.220986
HF Energy	-154.216028
Nuclear repulsion energy	75.078696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3906	3732	64.34
2	A	3168	3027	46.83
3	A	3151	3010	3.90
4	A	3095	2956	14.33
5	A	2998	2864	39.28
6	A	1492	1425	2.93
7	A	1470	1404	23.96
8	A	1457	1392	18.01
9	A	1391	1329	0.08
10	A	1281	1224	157.15
11	A	1232	1177	22.88
12	A	1065	1018	29.06
13	A	1020	974	4.83
14	A	943	901	9.31
15	A	587	560	20.45
16	A	414	396	12.01
17	A	363	347	150.82
18	A	185	176	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.506	-0.100
C2	1.224	-0.163	0.011
O3	-1.163	-0.339	0.024
H4	-0.233	1.527	0.255
H5	1.292	-1.003	-0.690
H6	2.029	0.541	-0.218
H7	1.406	-0.569	1.020
H8	-1.981	0.164	-0.027

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4802	1.3704	1.0897	2.1308	2.1245	2.1568	1.9218
C2	1.4802		2.3938	2.2447	1.0959	1.0936	1.1028	3.2222
O3	1.3704	2.3938		2.0976	2.6418	3.3204	2.7651	0.9617
H4	1.0897	2.2447	2.0976		3.1014	2.5127	2.7681	2.2347
H5	2.1308	1.0959	2.6418	3.1014		1.7751	1.7681	3.5377
H6	2.1245	1.0936	3.3204	2.5127	1.7751		1.7746	4.0328
H7	2.1568	1.1028	2.7651	2.7681	1.7681	1.7746		3.6206
H8	1.9218	3.2222	0.9617	2.2347	3.5377	4.0328	3.6206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.724	C1	C2	H6	110.361
C1	C2	H7	112.409	C1	O3	H8	109.743
C2	C1	O3	114.170	C2	C1	H4	120.967
O3	C1	H4	116.537	H5	C2	H6	108.326
H5	C2	H7	107.060	H6	C2	H7	107.797

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

using model chemistry: PBE1PBE/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	-0.036
2	C	-0.543
3	O	-0.455
4	H	0.134
5	H	0.187
6	H	0.174
7	H	0.177
8	H	0.362

	x	y	z	Total
	-0.475	1.291	0.329	1.414
CHELPG
AIM
ESP

	x	y	z
x	4.978	-0.060	0.083
y	-0.060	4.351	-0.151
z	0.083	-0.151	3.835

<r²>	51.541
(<r²>)^1/2	7.179

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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