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	hartrees
Energy at 0K	-154.275456
Energy at 298.15K	-154.280391
HF Energy	-154.275456
Nuclear repulsion energy	75.265362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3886	3734	60.35
2	A	3151	3028	45.38
3	A	3127	3005	5.61
4	A	3066	2946	17.59
5	A	2974	2858	43.92
6	A	1485	1428	3.51
7	A	1464	1407	21.13
8	A	1452	1395	7.69
9	A	1387	1333	0.48
10	A	1284	1234	147.78
11	A	1228	1180	24.53
12	A	1065	1024	28.27
13	A	1016	977	3.57
14	A	939	903	10.19
15	A	560	538	18.10
16	A	409	393	9.78
17	A	354	340	122.57
18	A	182	175	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.501	-0.096
C2	1.222	-0.162	0.011
O3	-1.163	-0.339	0.021
H4	-0.232	1.526	0.237
H5	1.297	-0.991	-0.698
H6	2.024	0.546	-0.203
H7	1.402	-0.579	1.013
H8	-1.972	0.175	-0.006

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4752	1.3669	1.0861	2.1255	2.1181	2.1508	1.9105
C2	1.4752		2.3920	2.2392	1.0934	1.0903	1.1001	3.2116
O3	1.3669	2.3920		2.0953	2.6448	3.3149	2.7610	0.9584
H4	1.0861	2.2392	2.0953		3.0897	2.4986	2.7757	2.2155
H5	2.1255	1.0934	2.6448	3.0897		1.7702	1.7623	3.5389
H6	2.1181	1.0903	3.3149	2.4986	1.7702		1.7693	4.0172
H7	2.1508	1.1001	2.7610	2.7757	1.7623	1.7693		3.6040
H8	1.9105	3.2116	0.9584	2.2155	3.5389	4.0172	3.6040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.809	C1	C2	H6	110.405
C1	C2	H7	112.455	C1	O3	H8	109.231
C2	C1	O3	114.571	C2	C1	H4	121.155
O3	C1	H4	116.876	H5	C2	H6	108.319
H5	C2	H7	106.917	H6	C2	H7	107.762

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.044
2	C	-0.264
3	O	-0.257
4	H	0.069
5	H	0.104
6	H	0.095
7	H	0.091
8	H	0.206

	x	y	z	Total
	-0.564	1.138	0.287	1.302
CHELPG
AIM
ESP

	x	y	z
x	5.222	-0.182	0.067
y	-0.182	4.365	-0.011
z	0.067	-0.011	3.601

<r²>	51.239
(<r²>)^1/2	7.158

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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