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	hartrees
Energy at 0K	-154.258115
Energy at 298.15K	-154.252711
HF Energy	-154.375361
Nuclear repulsion energy	74.758404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3615	31.67
2	A	3130	3006	66.43
3	A	3115	2992	8.81
4	A	3067	2945	22.64
5	A	2971	2853	46.50
6	A	1523	1462	0.93
7	A	1497	1438	8.55
8	A	1471	1412	16.50
9	A	1419	1363	1.32
10	A	1298	1247	132.79
11	A	1222	1173	34.56
12	A	1071	1029	26.89
13	A	1040	999	11.64
14	A	938	900	8.25
15	A	614	589	17.46
16	A	411	394	13.45
17	A	366	352	135.49
18	A	183	175	3.24

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	1.421	-0.556	1.026
H8	-1.985	0.179	-0.023

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4872	1.3785	1.0915	2.1382	2.1311	2.1686	1.9224
C2	1.4872		2.4056	2.2456	1.0974	1.0952	1.1045	3.2325
O3	1.3785	2.4056		2.1043	2.6492	3.3328	2.7858	0.9688
H4	1.0915	2.2456	2.1043		3.1092	2.5197	2.7613	2.2310
H5	2.1382	1.0974	2.6492	3.1092		1.7772	1.7690	3.5507
H6	2.1311	1.0952	3.3328	2.5197	1.7772		1.7757	4.0407
H7	2.1686	1.1045	2.7858	2.7613	1.7690	1.7757		3.6392
H8	1.9224	3.2325	0.9688	2.2310	3.5507	4.0407	3.6392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.614	C1	C2	H6	110.273
C1	C2	H7	112.226	C1	O3	H8	109.181
C2	C1	O3	113.892	C2	C1	H4	119.814
O3	C1	H4	116.582	H5	C2	H6	108.450
H5	C2	H7	107.225	H6	C2	H7	107.912

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

using model chemistry: G3B3

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	1.200	0.244	1.368
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	51.529
(<r²>)^1/2	7.178

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

using model chemistry: G3B3

States and conformations

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