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	hartrees
Energy at 0K	-30.179671
Energy at 298.15K	-30.184538
HF Energy	-30.179671
Nuclear repulsion energy	42.915717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3716	3598	15.77
2	A	3139	3040	98.61
3	A	3117	3019	18.02
4	A	3084	2986	43.38
5	A	2990	2896	49.36
6	A	1503	1456	4.96
7	A	1477	1431	13.88
8	A	1441	1396	26.36
9	A	1391	1347	3.38
10	A	1240	1201	80.42
11	A	1161	1124	78.89
12	A	1056	1022	36.93
13	A	1032	1000	14.09
14	A	913	884	15.65
15	A	554	537	31.23
16	A	394	382	22.20
17	A	366	354	197.45
18	A	165	160	4.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	0.532	-0.096
C2	1.254	-0.177	0.009
O3	-1.197	-0.343	0.029
H4	-0.222	1.563	0.263
H5	1.289	-1.031	-0.691
H6	2.072	0.520	-0.243
H7	1.440	-0.574	1.029
H8	-2.049	0.137	-0.068

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5134	1.4253	1.1012	2.1606	2.1568	2.1904	2.0094
C2	1.5134		2.4563	2.2957	1.1043	1.1040	1.1110	3.3187
O3	1.4253	2.4563		2.1541	2.6778	3.3924	2.8293	0.9833
H4	1.1012	2.2957	2.1541		3.1499	2.5712	2.8135	2.3414
H5	2.1606	1.1043	2.6778	3.1499		1.7937	1.7861	3.5911
H6	2.1568	1.1040	3.3924	2.5712	1.7937		1.7933	4.1432
H7	2.1904	1.1110	2.8293	2.8135	1.7861	1.7933		3.7259
H8	2.0094	3.3187	0.9833	2.3414	3.5911	4.1432	3.7259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.278	C1	C2	H6	109.996
C1	C2	H7	112.250	C1	O3	H8	111.762
C2	C1	O3	113.373	C2	C1	H4	122.018
O3	C1	H4	116.404	H5	C2	H6	108.630
H5	C2	H7	107.462	H6	C2	H7	108.113

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

using model chemistry: B3LYP/CEP-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	-0.201
2	C	-0.354
3	O	-0.403
4	H	0.170
5	H	0.162
6	H	0.140
7	H	0.145
8	H	0.342

	x	y	z	Total
	-0.298	1.591	0.331	1.652
CHELPG
AIM
ESP

	x	y	z
x	4.731	-0.086	0.081
y	-0.086	3.614	-0.135
z	0.081	-0.135	2.642

<r²>	46.340
(<r²>)^1/2	6.807

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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