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	hartrees
Energy at 0K	-154.318367
Energy at 298.15K	-154.323328
HF Energy	-154.318367
Nuclear repulsion energy	74.927970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3805	3640	38.77
2	A	3146	3010	57.30
3	A	3131	2996	13.94
4	A	3083	2949	21.11
5	A	2987	2857	43.39
6	A	1519	1453	1.56
7	A	1493	1428	12.06
8	A	1474	1411	17.34
9	A	1413	1352	0.37
10	A	1302	1245	145.90
11	A	1235	1181	27.72
12	A	1074	1028	26.40
13	A	1036	991	7.89
14	A	944	903	8.20
15	A	608	582	18.27
16	A	411	393	13.75
17	A	364	349	141.04
18	A	183	175	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.506	-0.103
C2	1.226	-0.163	0.011
O3	-1.167	-0.341	0.026
H4	-0.229	1.524	0.266
H5	1.291	-1.013	-0.679
H6	2.031	0.539	-0.233
H7	1.420	-0.555	1.024
H8	-1.979	0.179	-0.029

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4835	1.3733	1.0916	2.1344	2.1280	2.1650	1.9153
C2	1.4835		2.3995	2.2422	1.0972	1.0950	1.1041	3.2238
O3	1.3733	2.3995		2.1014	2.6436	3.3262	2.7810	0.9666
H4	1.0916	2.2422	2.1014		3.1051	2.5147	2.7600	2.2268
H5	2.1344	1.0972	2.6436	3.1051		1.7765	1.7688	3.5411
H6	2.1280	1.0950	3.3262	2.5147	1.7765		1.7754	4.0309
H7	2.1650	1.1041	2.7810	2.7600	1.7688	1.7754		3.6338
H8	1.9153	3.2238	0.9666	2.2268	3.5411	4.0309	3.6338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.703	C1	C2	H6	110.325
C1	C2	H7	112.759	C1	O3	H8	108.633
C2	C1	O3	114.211	C2	C1	H4	120.317
O3	C1	H4	116.517	H5	C2	H6	108.266
H5	C2	H7	106.932	H6	C2	H7	107.674

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

using model chemistry: B3PW91/6-31G*

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	0.027
2	C	-0.543
3	O	-0.572
4	H	0.136
5	H	0.186
6	H	0.173
7	H	0.174
8	H	0.419

	x	y	z	Total
	-0.609	1.220	0.237	1.384
CHELPG
AIM
ESP

	x	y	z
x	4.588	-0.104	0.041
y	-0.104	3.769	0.051
z	0.041	0.051	2.792

<r²>	51.273
(<r²>)^1/2	7.161

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

using model chemistry: B3PW91/6-31G*

States and conformations

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