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	hartrees
Energy at 0K	-154.222418
Energy at 298.15K	-154.227354
HF Energy	-154.222418
Nuclear repulsion energy	74.999540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3856	3709	60.63
2	A	3155	3035	33.12
3	A	3135	3016	23.48
4	A	3086	2968	17.70
5	A	2983	2869	45.26
6	A	1473	1417	17.00
7	A	1453	1398	8.78
8	A	1429	1375	6.05
9	A	1368	1316	0.63
10	A	1289	1240	167.61
11	A	1226	1179	9.36
12	A	1063	1023	21.44
13	A	1007	969	3.52
14	A	941	905	10.09
15	A	578	556	16.70
16	A	406	391	10.17
17	A	364	350	124.57
18	A	175	169	2.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.504	-0.102
C2	1.223	-0.161	0.011
O3	-1.163	-0.342	0.022
H4	-0.231	1.534	0.253
H5	1.281	-1.027	-0.669
H6	2.032	0.537	-0.248
H7	1.423	-0.543	1.034
H8	-1.971	0.184	-0.005

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4801	1.3688	1.0979	2.1346	2.1320	2.1653	1.9059
C2	1.4801		2.3935	2.2463	1.1027	1.0997	1.1098	3.2126
O3	1.3688	2.3935		2.1077	2.6309	3.3255	2.7848	0.9641
H4	1.0979	2.2463	2.1077		3.1134	2.5232	2.7678	2.2171
H5	2.1346	1.1027	2.6309	3.1134		1.7855	1.7759	3.5328
H6	2.1320	1.0997	3.3255	2.5232	1.7855		1.7835	4.0260
H7	2.1653	1.1098	2.7848	2.7678	1.7759	1.7835		3.6233
H8	1.9059	3.2126	0.9641	2.2171	3.5328	4.0260	3.6233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.627	C1	C2	H6	110.598
C1	C2	H7	112.669	C1	O3	H8	108.308
C2	C1	O3	114.250	C2	C1	H4	120.499
O3	C1	H4	116.970	H5	C2	H6	108.335
H5	C2	H7	106.777	H6	C2	H7	107.648

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.064
2	C	-0.074
3	O	-0.196
4	H	0.023
5	H	0.057
6	H	0.048
7	H	0.049
8	H	0.157

	x	y	z	Total
	-0.643	1.106	0.282	1.310
CHELPG
AIM
ESP

	x	y	z
x	4.809	-0.174	0.053
y	-0.174	3.950	0.050
z	0.053	0.050	3.005

<r²>	51.283
(<r²>)^1/2	7.161

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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