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	hartrees
Energy at 0K	-154.162929
Energy at 298.15K	-154.167841
HF Energy	-154.162929
Nuclear repulsion energy	74.512585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3569	21.32
2	A	3188	3049	52.29
3	A	3159	3021	7.88
4	A	3102	2968	21.33
5	A	3004	2874	38.78
6	A	1537	1471	3.36
7	A	1513	1447	13.09
8	A	1480	1416	23.41
9	A	1444	1381	0.13
10	A	1280	1224	80.97
11	A	1214	1161	81.37
12	A	1087	1040	40.72
13	A	1060	1014	10.00
14	A	950	908	14.34
15	A	548	524	22.46
16	A	408	390	16.37
17	A	364	348	193.65
18	A	166	159	4.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.078	0.516	-0.088
C2	1.229	-0.171	0.008
O3	-1.177	-0.336	0.025
H4	-0.210	1.547	0.235
H5	1.268	-1.021	-0.683
H6	2.041	0.517	-0.244
H7	1.427	-0.569	1.017
H8	-2.019	0.144	-0.047

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4788	1.3954	1.0884	2.1272	2.1243	2.1594	1.9773
C2	1.4788		2.4111	2.2518	1.0961	1.0941	1.1030	3.2633
O3	1.3954	2.4111		2.1269	2.6356	3.3399	2.7960	0.9721
H4	1.0884	2.2518	2.1269		3.1013	2.5212	2.7872	2.3065
H5	2.1272	1.0961	2.6356	3.1013		1.7764	1.7665	3.5448
H6	2.1243	1.0941	3.3399	2.5212	1.7764		1.7745	4.0820
H7	2.1594	1.1030	2.7960	2.7872	1.7665	1.7745		3.6762
H8	1.9773	3.2633	0.9721	2.3065	3.5448	4.0820	3.6762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.526	C1	C2	H6	110.415
C1	C2	H7	112.713	C1	O3	H8	112.027
C2	C1	O3	114.012	C2	C1	H4	121.864
O3	C1	H4	117.280	H5	C2	H6	108.399
H5	C2	H7	106.886	H6	C2	H7	107.731

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

using model chemistry: HSEh1PBE/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	0.074
2	C	-0.528
3	O	-0.602
4	H	0.138
5	H	0.188
6	H	0.168
7	H	0.174
8	H	0.388

	x	y	z	Total
	-0.527	1.514	0.182	1.613
CHELPG
AIM
ESP

	x	y	z
x	4.546	-0.047	0.049
y	-0.047	3.663	0.020
z	0.049	0.020	2.585

<r²>	51.770
(<r²>)^1/2	7.195

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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