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	hartrees
Energy at 0K	-154.296837
Energy at 298.15K	-154.301829
HF Energy	-154.296837
Nuclear repulsion energy	75.181213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3832	3659	43.82
2	A	3168	3025	45.50
3	A	3150	3008	23.87
4	A	3105	2965	19.97
5	A	3007	2871	40.50
6	A	1523	1454	2.09
7	A	1497	1430	13.61
8	A	1482	1415	17.82
9	A	1416	1352	0.31
10	A	1308	1249	159.42
11	A	1245	1189	16.97
12	A	1077	1028	26.88
13	A	1038	991	7.71
14	A	951	908	8.12
15	A	617	589	17.71
16	A	411	392	15.94
17	A	374	357	139.63
18	A	184	176	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.505	-0.105
C2	1.222	-0.162	0.011
O3	-1.161	-0.341	0.025
H4	-0.230	1.519	0.269
H5	1.285	-1.013	-0.674
H6	2.024	0.536	-0.234
H7	1.414	-0.551	1.024
H8	-1.974	0.176	-0.021

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4793	1.3678	1.0893	2.1277	2.1221	2.1590	1.9103
C2	1.4793		2.3893	2.2360	1.0943	1.0920	1.1012	3.2132
O3	1.3678	2.3893		2.0935	2.6311	3.3140	2.7698	0.9641
H4	1.0893	2.2360	2.0935		3.0974	2.5103	2.7488	2.2193
H5	2.1277	1.0943	2.6311	3.0974		1.7721	1.7642	3.5296
H6	2.1221	1.0920	3.3140	2.5103	1.7721		1.7709	4.0198
H7	2.1590	1.1012	2.7698	2.7488	1.7642	1.7709		3.6186
H8	1.9103	3.2132	0.9641	2.2193	3.5296	4.0198	3.6186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.642	C1	C2	H6	110.337
C1	C2	H7	112.754	C1	O3	H8	108.777
C2	C1	O3	114.056	C2	C1	H4	120.278
O3	C1	H4	116.405	H5	C2	H6	108.297
H5	C2	H7	106.940	H6	C2	H7	107.693

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

using model chemistry: B1B95/6-31G**

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	-0.522
3	O	-0.571
4	H	0.130
5	H	0.180
6	H	0.168
7	H	0.168
8	H	0.420

	x	y	z	Total
	-0.636	1.197	0.262	1.380
CHELPG
AIM
ESP

	x	y	z
x	4.568	-0.103	0.037
y	-0.103	3.742	0.054
z	0.037	0.054	2.779

<r²>	50.976
(<r²>)^1/2	7.140

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

using model chemistry: B1B95/6-31G**

States and conformations

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