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	hartrees
Energy at 0K	-152.714448
Energy at 298.15K	-152.719277
HF Energy	-152.714448
Nuclear repulsion energy	74.489538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3437	3381	10.97
2	A	3073	3022	27.91
3	A	3055	3005	13.61
4	A	2996	2947	11.55
5	A	2873	2826	45.99
6	A	1496	1471	3.87
7	A	1461	1437	16.83
8	A	1434	1410	10.37
9	A	1392	1369	8.81
10	A	1238	1217	52.36
11	A	1195	1175	92.40
12	A	1049	1032	34.37
13	A	1021	1005	11.50
14	A	932	917	9.20
15	A	519	511	25.16
16	A	393	387	69.94
17	A	359	353	125.83
18	A	152	150	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	0.512	-0.082
C2	1.220	-0.169	0.007
O3	-1.171	-0.341	0.026
H4	-0.188	1.560	0.230
H5	1.227	-1.057	-0.654
H6	2.033	0.509	-0.306
H7	1.463	-0.535	1.033
H8	-2.016	0.189	-0.055

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4694	1.3900	1.0988	2.1197	2.1239	2.1716	1.9639
C2	1.4694		2.3974	2.2409	1.1068	1.1034	1.1160	3.2563
O3	1.3900	2.3974		2.1496	2.5931	3.3315	2.8260	1.0007
H4	1.0988	2.2409	2.1496		3.1033	2.5154	2.7853	2.3024
H5	2.1197	1.1068	2.5931	3.1033		1.7948	1.7810	3.5252
H6	2.1239	1.1034	3.3315	2.5154	1.7948		1.7906	4.0694
H7	2.1716	1.1160	2.8260	2.7853	1.7810	1.7906		3.7157
H8	1.9639	3.2563	1.0007	2.3024	3.5252	4.0694	3.7157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.940	C1	C2	H6	110.477
C1	C2	H7	113.569	C1	O3	H8	109.382
C2	C1	O3	113.917	C2	C1	H4	120.834
O3	C1	H4	119.012	H5	C2	H6	108.594
H5	C2	H7	106.501	H6	C2	H7	107.569

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

using model chemistry: LSDA/3-21G

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	-0.028
2	C	-0.692
3	O	-0.497
4	H	0.176
5	H	0.235
6	H	0.221
7	H	0.217
8	H	0.369

	x	y	z	Total
	-0.875	1.206	0.217	1.506
CHELPG
AIM
ESP

	x	y	z
x	4.757	-0.158	0.108
y	-0.158	3.598	0.014
z	0.108	0.014	2.428

<r²>	51.491
(<r²>)^1/2	7.176

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

using model chemistry: LSDA/3-21G

States and conformations

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