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	hartrees
Energy at 0K	-154.247454
Energy at 298.15K	-154.252344
HF Energy	-154.247454
Nuclear repulsion energy	74.629616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3716	3675	43.35
2	A	3067	3033	45.89
3	A	3047	3013	4.54
4	A	2981	2947	17.05
5	A	2876	2844	54.86
6	A	1441	1425	1.54
7	A	1415	1399	20.02
8	A	1403	1387	10.26
9	A	1348	1333	0.28
10	A	1234	1220	99.25
11	A	1179	1166	58.66
12	A	1033	1022	29.23
13	A	986	975	4.21
14	A	908	898	12.29
15	A	536	530	21.12
16	A	401	397	11.78
17	A	360	356	132.34
18	A	188	186	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.087	0.505	-0.094
C2	1.229	-0.164	0.010
O3	-1.174	-0.343	0.022
H4	-0.229	1.539	0.238
H5	1.307	-0.999	-0.705
H6	2.036	0.550	-0.207
H7	1.419	-0.587	1.019
H8	-1.988	0.188	-0.015

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4802	1.3834	1.0950	2.1403	2.1265	2.1683	1.9286
C2	1.4802		2.4096	2.2533	1.1024	1.0989	1.1104	3.2359
O3	1.3834	2.4096		2.1168	2.6674	3.3394	2.7888	0.9720
H4	1.0950	2.2533	2.1168		3.1131	2.5112	2.8012	2.2325
H5	2.1403	1.1024	2.6674	3.1131		1.7828	1.7758	3.5694
H6	2.1265	1.0989	3.3394	2.5112	1.7828		1.7824	4.0444
H7	2.1683	1.1104	2.7888	2.8012	1.7758	1.7824		3.6435
H8	1.9286	3.2359	0.9720	2.2325	3.5694	4.0444	3.6435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.095	C1	C2	H6	110.196
C1	C2	H7	112.870	C1	O3	H8	108.673
C2	C1	O3	114.548	C2	C1	H4	121.362
O3	C1	H4	116.842	H5	C2	H6	108.167
H5	C2	H7	106.744	H6	C2	H7	107.565

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

using model chemistry: PBEPBE/TZVP

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	-0.109
2	C	-0.342
3	O	-0.291
4	H	0.099
5	H	0.132
6	H	0.120
7	H	0.118
8	H	0.272

	x	y	z	Total
	-0.573	1.185	0.326	1.356
CHELPG
AIM
ESP

	x	y	z
x	5.445	-0.167	0.120
y	-0.167	4.554	-0.075
z	0.120	-0.075	3.839

<r²>	52.080
(<r²>)^1/2	7.217

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

using model chemistry: PBEPBE/TZVP

States and conformations

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