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	hartrees
Energy at 0K	-154.245012
Energy at 298.15K	-154.250011
HF Energy	-154.245012
Nuclear repulsion energy	75.213269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3861	3705	34.22
2	A	3143	3016	59.93
3	A	3126	3000	14.78
4	A	3078	2953	22.81
5	A	2981	2860	51.83
6	A	1509	1448	2.57
7	A	1484	1424	19.92
8	A	1472	1412	9.46
9	A	1403	1347	2.18
10	A	1308	1256	161.40
11	A	1233	1183	31.04
12	A	1078	1035	26.80
13	A	1032	990	6.44
14	A	947	909	9.12
15	A	604	579	18.48
16	A	414	398	19.05
17	A	381	366	152.05
18	A	186	178	3.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.506	-0.104
C2	1.221	-0.162	0.011
O3	-1.161	-0.339	0.025
H4	-0.231	1.522	0.265
H5	1.283	-1.013	-0.675
H6	2.029	0.532	-0.231
H7	1.408	-0.554	1.024
H8	-1.974	0.167	-0.025

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4778	1.3679	1.0899	2.1272	2.1255	2.1552	1.9131
C2	1.4778		2.3881	2.2378	1.0947	1.0923	1.1018	3.2118
O3	1.3679	2.3881		2.0944	2.6300	3.3163	2.7642	0.9593
H4	1.0899	2.2378	2.0944		3.0985	2.5166	2.7517	2.2265
H5	2.1272	1.0947	2.6300	3.0985		1.7715	1.7640	3.5249
H6	2.1255	1.0923	3.3163	2.5166	1.7715		1.7717	4.0247
H7	2.1552	1.1018	2.7642	2.7517	1.7640	1.7717		3.6132
H8	1.9131	3.2118	0.9593	2.2265	3.5249	4.0247	3.6132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.683	C1	C2	H6	110.694
C1	C2	H7	112.515	C1	O3	H8	109.324
C2	C1	O3	114.055	C2	C1	H4	120.524
O3	C1	H4	116.435	H5	C2	H6	108.201
H5	C2	H7	106.856	H6	C2	H7	107.702

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

using model chemistry: HSEh1PBE/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	-0.083
2	C	-0.689
3	O	-0.507
4	H	0.190
5	H	0.236
6	H	0.225
7	H	0.222
8	H	0.406

	x	y	z	Total
	-0.672	1.283	0.283	1.476
CHELPG
AIM
ESP

	x	y	z
x	4.786	-0.151	0.074
y	-0.151	3.976	0.011
z	0.074	0.011	3.140

<r²>	51.194
(<r²>)^1/2	7.155

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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