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	hartrees
Energy at 0K	-154.261782
Energy at 298.15K	-154.266718
HF Energy	-154.261782
Nuclear repulsion energy	75.269156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3891	3740	61.06
2	A	3149	3027	45.38
3	A	3127	3005	5.01
4	A	3066	2947	17.34
5	A	2975	2859	42.93
6	A	1485	1427	4.10
7	A	1464	1407	21.50
8	A	1451	1394	7.37
9	A	1386	1332	0.50
10	A	1285	1235	151.05
11	A	1230	1182	20.96
12	A	1065	1024	28.08
13	A	1015	976	3.51
14	A	940	903	10.01
15	A	561	539	18.04
16	A	409	393	9.82
17	A	355	341	122.62
18	A	182	175	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.501	-0.096
C2	1.222	-0.162	0.011
O3	-1.163	-0.339	0.021
H4	-0.233	1.526	0.237
H5	1.298	-0.991	-0.698
H6	2.023	0.547	-0.203
H7	1.402	-0.580	1.013
H8	-1.971	0.176	-0.005

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4755	1.3663	1.0866	2.1259	2.1184	2.1513	1.9092
C2	1.4755		2.3917	2.2394	1.0937	1.0906	1.1004	3.2109
O3	1.3663	2.3917		2.0952	2.6452	3.3147	2.7604	0.9585
H4	1.0866	2.2394	2.0952		3.0904	2.4984	2.7758	2.2142
H5	2.1259	1.0937	2.6452	3.0904		1.7708	1.7630	3.5391
H6	2.1184	1.0906	3.3147	2.4984	1.7708		1.7701	4.0164
H7	2.1513	1.1004	2.7604	2.7758	1.7630	1.7701		3.6031
H8	1.9092	3.2109	0.9585	2.2142	3.5391	4.0164	3.6031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.802	C1	C2	H6	110.384
C1	C2	H7	112.448	C1	O3	H8	109.161
C2	C1	O3	114.566	C2	C1	H4	121.116
O3	C1	H4	116.877	H5	C2	H6	108.325
H5	C2	H7	106.934	H6	C2	H7	107.777

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

using model chemistry: PBE1PBE/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	-0.049
2	C	-0.273
3	O	-0.254
4	H	0.070
5	H	0.108
6	H	0.098
7	H	0.094
8	H	0.206

	x	y	z	Total
	-0.568	1.133	0.290	1.300
CHELPG
AIM
ESP

	x	y	z
x	5.217	-0.180	0.066
y	-0.180	4.363	-0.010
z	0.066	-0.010	3.601

<r²>	51.226
(<r²>)^1/2	7.157

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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