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	hartrees
Energy at 0K	-154.375360
Energy at 298.15K	-154.380322
HF Energy	-154.375360
Nuclear repulsion energy	74.756078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3605	31.68
2	A	3130	2998	66.22
3	A	3115	2984	9.01
4	A	3067	2938	22.61
5	A	2971	2846	46.46
6	A	1523	1459	0.95
7	A	1497	1434	8.51
8	A	1471	1409	16.53
9	A	1419	1359	1.28
10	A	1298	1244	132.92
11	A	1222	1170	34.56
12	A	1071	1026	26.81
13	A	1040	997	11.64
14	A	938	898	8.26
15	A	614	589	17.44
16	A	410	393	13.41
17	A	368	352	135.60
18	A	181	173	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.508	-0.105
C2	1.229	-0.164	0.011
O3	-1.170	-0.342	0.025
H4	-0.229	1.524	0.269
H5	1.294	-1.015	-0.678
H6	2.035	0.538	-0.232
H7	1.422	-0.555	1.026
H8	-1.985	0.179	-0.023

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4872	1.3785	1.0915	2.1381	2.1311	2.1686	1.9224
C2	1.4872		2.4056	2.2456	1.0974	1.0952	1.1045	3.2324
O3	1.3785	2.4056		2.1043	2.6489	3.3328	2.7859	0.9688
H4	1.0915	2.2456	2.1043		3.1092	2.5199	2.7609	2.2310
H5	2.1381	1.0974	2.6489	3.1092		1.7772	1.7690	3.5505
H6	2.1311	1.0952	3.3328	2.5199	1.7772		1.7758	4.0407
H7	2.1686	1.1045	2.7859	2.7609	1.7690	1.7758		3.6392
H8	1.9224	3.2324	0.9688	2.2310	3.5505	4.0407	3.6392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.734	C1	C2	H6	110.303
C1	C2	H7	112.757	C1	O3	H8	108.706
C2	C1	O3	114.106	C2	C1	H4	120.327
O3	C1	H4	116.364	H5	C2	H6	108.298
H5	C2	H7	106.909	H6	C2	H7	107.659

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

using model chemistry: B3LYPultrafine/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	0.048
2	C	-0.469
3	O	-0.561
4	H	0.113
5	H	0.162
6	H	0.150
7	H	0.151
8	H	0.406

	x	y	z	Total
	-0.611	1.199	0.244	1.368
CHELPG
AIM
ESP

	x	y	z
x	4.630	-0.106	0.038
y	-0.106	3.766	0.055
z	0.038	0.055	2.778

<r²>	51.528
(<r²>)^1/2	7.178

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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