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	hartrees
Energy at 0K	-153.557937
Energy at 298.15K	-153.562828
HF Energy	-153.557937
Nuclear repulsion energy	75.226232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3625	42.45
2	A	3082	3024	25.54
3	A	3065	3007	23.86
4	A	2997	2941	14.83
5	A	2881	2827	49.37
6	A	1462	1435	15.23
7	A	1443	1416	17.19
8	A	1414	1387	8.16
9	A	1351	1326	0.95
10	A	1265	1241	163.89
11	A	1223	1200	0.67
12	A	1053	1033	28.14
13	A	990	971	4.54
14	A	932	915	10.10
15	A	553	542	21.24
16	A	401	394	29.29
17	A	372	365	132.78
18	A	179	176	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.501	-0.095
C2	1.213	-0.159	0.009
O3	-1.156	-0.341	0.024
H4	-0.231	1.538	0.245
H5	1.279	-1.014	-0.691
H6	2.024	0.546	-0.233
H7	1.423	-0.572	1.024
H8	-1.978	0.183	-0.029

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4653	1.3624	1.1001	2.1276	2.1207	2.1664	1.9142
C2	1.4653		2.3758	2.2403	1.1067	1.1024	1.1153	3.2093
O3	1.3624	2.3758		2.1057	2.6253	3.3118	2.7753	0.9765
H4	1.1001	2.2403	2.1057		3.1089	2.5095	2.7909	2.2274
H5	2.1276	1.1067	2.6253	3.1089		1.7887	1.7769	3.5326
H6	2.1207	1.1024	3.3118	2.5095	1.7887		1.7867	4.0239
H7	2.1664	1.1153	2.7753	2.7909	1.7769	1.7867		3.6391
H8	1.9142	3.2093	0.9765	2.2274	3.5326	4.0239	3.6391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.859	C1	C2	H6	110.572
C1	C2	H7	113.485	C1	O3	H8	108.735
C2	C1	O3	114.272	C2	C1	H4	121.029
O3	C1	H4	117.147	H5	C2	H6	108.132
H5	C2	H7	106.194	H6	C2	H7	107.343

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

using model chemistry: LSDA/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	-0.011
2	C	-0.572
3	O	-0.521
4	H	0.134
5	H	0.191
6	H	0.182
7	H	0.177
8	H	0.420

	x	y	z	Total
	-0.785	1.116	0.244	1.387
CHELPG
AIM
ESP

	x	y	z
x	4.889	-0.196	0.094
y	-0.196	3.927	0.030
z	0.094	0.030	2.874

<r²>	50.872
(<r²>)^1/2	7.132

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

using model chemistry: LSDA/6-31G*

States and conformations

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