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	hartrees
Energy at 0K	-154.194755
Energy at 298.15K	-154.199729
HF Energy	-154.194755
Nuclear repulsion energy	75.071373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3834	3644	42.73
2	A	3164	3007	50.53
3	A	3149	2993	15.71
4	A	3101	2947	19.02
5	A	3006	2857	38.75
6	A	1522	1446	2.23
7	A	1496	1421	15.23
8	A	1482	1408	16.17
9	A	1415	1345	0.24
10	A	1311	1246	157.21
11	A	1245	1183	20.25
12	A	1080	1026	25.50
13	A	1039	987	7.00
14	A	951	904	8.31
15	A	614	583	18.05
16	A	412	392	13.85
17	A	366	348	141.64
18	A	184	175	3.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.506	-0.104
C2	1.223	-0.162	0.011
O3	-1.163	-0.341	0.026
H4	-0.229	1.523	0.267
H5	1.286	-1.013	-0.678
H6	2.028	0.538	-0.234
H7	1.415	-0.554	1.024
H8	-1.975	0.177	-0.030

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4814	1.3695	1.0912	2.1310	2.1265	2.1616	1.9107
C2	1.4814		2.3926	2.2394	1.0968	1.0944	1.1034	3.2163
O3	1.3695	2.3926		2.0986	2.6349	3.3198	2.7723	0.9651
H4	1.0912	2.2394	2.0986		3.1019	2.5134	2.7548	2.2242
H5	2.1310	1.0968	2.6349	3.1019		1.7761	1.7682	3.5312
H6	2.1265	1.0944	3.3198	2.5134	1.7761		1.7750	4.0244
H7	2.1616	1.1034	2.7723	2.7548	1.7682	1.7750		3.6245
H8	1.9107	3.2163	0.9651	2.2242	3.5312	4.0244	3.6245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.612	C1	C2	H6	110.385
C1	C2	H7	112.680	C1	O3	H8	108.611
C2	C1	O3	114.059	C2	C1	H4	120.270
O3	C1	H4	116.588	H5	C2	H6	108.299
H5	C2	H7	106.966	H6	C2	H7	107.724

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

using model chemistry: PBE1PBE/6-31G*

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	0.025
2	C	-0.557
3	O	-0.576
4	H	0.140
5	H	0.190
6	H	0.178
7	H	0.178
8	H	0.422

	x	y	z	Total
	-0.611	1.220	0.236	1.384
CHELPG
AIM
ESP

	x	y	z
x	4.542	-0.101	0.039
y	-0.101	3.745	0.053
z	0.039	0.053	2.783

<r²>	51.118
(<r²>)^1/2	7.150

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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