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	hartrees
Energy at 0K	-154.220173
Energy at 298.15K	-154.225187
HF Energy	-154.072935
Nuclear repulsion energy	74.941399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3872	3872	40.27
2	A	3175	3175	53.75
3	A	3160	3160	14.60
4	A	3118	3118	21.54
5	A	3028	3028	35.39
6	A	1531	1531	1.21
7	A	1506	1506	7.96
8	A	1483	1483	19.05
9	A	1424	1424	1.01
10	A	1300	1300	127.50
11	A	1230	1230	33.65
12	A	1078	1078	27.85
13	A	1052	1052	12.56
14	A	947	947	8.78
15	A	642	642	15.67
16	A	415	415	12.01
17	A	370	370	135.45
18	A	188	188	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.511	-0.108
C2	1.226	-0.165	0.012
O3	-1.165	-0.342	0.025
H4	-0.225	1.521	0.275
H5	1.282	-1.014	-0.673
H6	2.032	0.529	-0.230
H7	1.407	-0.552	1.024
H8	-1.977	0.176	-0.016

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4858	1.3782	1.0878	2.1296	2.1269	2.1587	1.9168
C2	1.4858		2.3977	2.2399	1.0925	1.0909	1.0988	3.2205
O3	1.3782	2.3977		2.1015	2.6326	3.3235	2.7679	0.9635
H4	1.0878	2.2399	2.1015		3.0982	2.5169	2.7428	2.2269
H5	2.1296	1.0925	2.6326	3.0982		1.7714	1.7637	3.5313
H6	2.1269	1.0909	3.3235	2.5169	1.7714		1.7701	4.0295
H7	2.1587	1.0988	2.7679	2.7428	1.7637	1.7701		3.6142
H8	1.9168	3.2205	0.9635	2.2269	3.5313	4.0295	3.6142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.440	C1	C2	H6	110.330
C1	C2	H7	112.414	C1	O3	H8	108.582
C2	C1	O3	113.636	C2	C1	H4	120.200
O3	C1	H4	116.408	H5	C2	H6	108.449
H5	C2	H7	107.187	H6	C2	H7	107.875

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

using model chemistry: B2PLYP/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	0.086
2	C	-0.346
3	O	-0.498
4	H	0.080
5	H	0.126
6	H	0.112
7	H	0.115
8	H	0.326

	x	y	z	Total
	-0.573	1.209	0.257	1.363
CHELPG
AIM
ESP

	x	y	z
x	4.558	-0.071	0.016
y	-0.071	3.753	0.067
z	0.016	0.067	2.792

<r²>	51.330
(<r²>)^1/2	7.164

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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