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	hartrees
Energy at 0K	-29.467224
Energy at 298.15K	-29.472283
HF Energy	-29.467224
Nuclear repulsion energy	43.422371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4098	3694	44.13
2	A	3325	2997	141.84
3	A	3304	2978	9.46
4	A	3274	2951	64.86
5	A	3192	2877	47.83
6	A	1628	1467	4.44
7	A	1609	1450	9.19
8	A	1575	1419	22.92
9	A	1503	1355	10.17
10	A	1346	1214	137.34
11	A	1250	1127	64.56
12	A	1153	1039	11.46
13	A	1135	1023	52.73
14	A	981	884	16.16
15	A	698	629	16.03
16	A	425	383	16.97
17	A	351	316	242.24
18	A	181	163	7.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.083	0.533	-0.108
C2	1.245	-0.178	0.009
O3	-1.183	-0.333	0.035
H4	-0.216	1.532	0.297
H5	1.283	-1.016	-0.686
H6	2.062	0.506	-0.220
H7	1.396	-0.572	1.018
H8	-2.033	0.086	-0.090

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5105	1.4082	1.0858	2.1437	2.1476	2.1628	2.0006
C2	1.5105		2.4334	2.2669	1.0889	1.0896	1.0939	3.2897
O3	1.4082	2.4334		2.1175	2.6580	3.3617	2.7710	0.9556
H4	1.0858	2.2669	2.1175		3.1142	2.5509	2.7470	2.3537
H5	2.1437	1.0889	2.6580	3.1142		1.7718	1.7639	3.5438
H6	2.1476	1.0896	3.3617	2.5509	1.7718		1.7713	4.1180
H7	2.1628	1.0939	2.7710	2.7470	1.7639	1.7713		3.6633
H8	2.0006	3.2897	0.9556	2.3537	3.5438	4.1180	3.6633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.057	C1	C2	H6	110.327
C1	C2	H7	111.285	C1	O3	H8	114.264
C2	C1	O3	112.919	C2	C1	H4	120.777
O3	C1	H4	115.610	H5	C2	H6	108.843
H5	C2	H7	107.824	H6	C2	H7	108.428

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

using model chemistry: HF/CEP-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	-0.053
2	C	-0.244
3	O	-0.552
4	H	0.126
5	H	0.126
6	H	0.104
7	H	0.110
8	H	0.383

	x	y	z	Total
	-0.196	1.837	0.157	1.854
CHELPG
AIM
ESP

	x	y	z
x	4.065	-0.063	0.073
y	-0.063	3.299	-0.074
z	0.073	-0.074	2.479

<r²>	45.761
(<r²>)^1/2	6.765

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

using model chemistry: HF/CEP-31G

States and conformations

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