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	hartrees
Energy at 0K	-154.334946
Energy at 298.15K	-154.339952
HF Energy	-154.334946
Nuclear repulsion energy	75.341271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3866	3706	36.36
2	A	3148	3018	53.51
3	A	3130	3001	23.13
4	A	3085	2957	23.20
5	A	2985	2862	52.41
6	A	1512	1449	2.43
7	A	1487	1425	18.52
8	A	1473	1412	11.51
9	A	1404	1346	1.29
10	A	1307	1253	165.99
11	A	1236	1185	25.66
12	A	1077	1032	28.21
13	A	1031	989	7.05
14	A	948	908	8.71
15	A	607	581	18.10
16	A	413	396	28.15
17	A	388	372	143.38
18	A	186	178	3.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.505	-0.105
C2	1.219	-0.162	0.012
O3	-1.158	-0.339	0.024
H4	-0.232	1.518	0.266
H5	1.282	-1.011	-0.672
H6	2.025	0.531	-0.231
H7	1.406	-0.551	1.022
H8	-1.972	0.166	-0.016

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4759	1.3655	1.0878	2.1238	2.1212	2.1522	1.9115
C2	1.4759		2.3841	2.2344	1.0921	1.0897	1.0995	3.2077
O3	1.3655	2.3841		2.0889	2.6257	3.3096	2.7601	0.9583
H4	1.0878	2.2344	2.0889		3.0935	2.5129	2.7457	2.2207
H5	2.1238	1.0921	2.6257	3.0935		1.7674	1.7600	3.5223
H6	2.1212	1.0897	3.3096	2.5129	1.7674		1.7676	4.0188
H7	2.1522	1.0995	2.7601	2.7457	1.7600	1.7676		3.6058
H8	1.9115	3.2077	0.9583	2.2207	3.5223	4.0188	3.6058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.702	C1	C2	H6	110.640
C1	C2	H7	112.561	C1	O3	H8	109.443
C2	C1	O3	114.030	C2	C1	H4	120.527
O3	C1	H4	116.293	H5	C2	H6	108.208
H5	C2	H7	106.849	H6	C2	H7	107.690

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

using model chemistry: B1B95/6-311G*

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	-0.084
2	C	-0.675
3	O	-0.503
4	H	0.186
5	H	0.232
6	H	0.221
7	H	0.218
8	H	0.405

	x	y	z	Total
	-0.697	1.260	0.310	1.473
CHELPG
AIM
ESP

	x	y	z
x	4.804	-0.150	0.071
y	-0.150	3.970	0.013
z	0.071	0.013	3.135

<r²>	51.030
(<r²>)^1/2	7.144

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

using model chemistry: B1B95/6-311G*

States and conformations

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