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	hartrees
Energy at 0K	-30.234394
Energy at 298.15K	-30.239368
HF Energy	-30.234394
Nuclear repulsion energy	43.659807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3880	3880	33.92
2	A	3135	3135	62.49
3	A	3114	3114	31.93
4	A	3079	3079	30.72
5	A	2996	2996	47.95
6	A	1514	1514	1.80
7	A	1485	1485	11.87
8	A	1471	1471	22.80
9	A	1406	1406	0.24
10	A	1299	1299	152.67
11	A	1223	1223	35.93
12	A	1069	1069	33.76
13	A	1033	1033	7.19
14	A	937	937	8.04
15	A	603	603	19.93
16	A	412	412	12.13
17	A	365	365	150.03
18	A	187	187	3.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.512	-0.107
C2	1.236	-0.166	0.012
O3	-1.173	-0.343	0.026
H4	-0.234	1.527	0.274
H5	1.319	-0.985	-0.714
H6	2.042	0.551	-0.180
H7	1.391	-0.597	1.015
H8	-1.985	0.174	-0.027

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4970	1.3839	1.0936	2.1455	2.1368	2.1668	1.9235
C2	1.4970		2.4158	2.2574	1.0972	1.0951	1.1033	3.2395
O3	1.3839	2.4158		2.1078	2.6777	3.3434	2.7606	0.9644
H4	1.0936	2.2574	2.1078		3.1142	2.5179	2.7754	2.2334
H5	2.1455	1.0972	2.6777	3.1142		1.7788	1.7735	3.5687
H6	2.1368	1.0951	3.3434	2.5179	1.7788		1.7802	4.0477
H7	2.1668	1.1033	2.7606	2.7754	1.7735	1.7802		3.6170
H8	1.9235	3.2395	0.9644	2.2334	3.5687	4.0477	3.6170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.647	C1	C2	H6	110.082
C1	C2	H7	111.987	C1	O3	H8	108.669
C2	C1	O3	113.921	C2	C1	H4	120.438
O3	C1	H4	116.092	H5	C2	H6	108.459
H5	C2	H7	107.399	H6	C2	H7	108.145

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.074
2	C	-0.536
3	O	-0.492
4	H	0.142
5	H	0.187
6	H	0.176
7	H	0.174
8	H	0.423

	x	y	z	Total
	-0.561	1.297	0.335	1.452
CHELPG
AIM
ESP

	x	y	z
x	4.859	-0.087	0.053
y	-0.087	4.201	0.001
z	0.053	0.001	3.432

<r²>	45.215
(<r²>)^1/2	6.724

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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