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	hartrees
Energy at 0K	-154.337431
Energy at 298.15K	-154.342439
HF Energy	-154.337431
Nuclear repulsion energy	75.173587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3890	3890	43.21
2	A	3153	3153	52.22
3	A	3139	3139	6.03
4	A	3092	3092	16.70
5	A	3015	3015	31.94
6	A	1518	1518	2.87
7	A	1489	1489	14.40
8	A	1478	1478	16.72
9	A	1411	1411	1.21
10	A	1314	1314	173.37
11	A	1232	1232	26.90
12	A	1081	1081	26.91
13	A	1043	1043	7.82
14	A	948	948	8.20
15	A	633	633	15.64
16	A	424	424	63.42
17	A	395	395	111.83
18	A	164	164	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.512	-0.109
C2	1.222	-0.164	0.012
O3	-1.157	-0.340	0.026
H4	-0.231	1.519	0.280
H5	1.280	-1.005	-0.685
H6	2.034	0.528	-0.213
H7	1.386	-0.567	1.021
H8	-1.979	0.155	-0.027

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4839	1.3695	1.0883	2.1261	2.1305	2.1523	1.9206
C2	1.4839		2.3853	2.2393	1.0930	1.0907	1.0989	3.2166
O3	1.3695	2.3853		2.0927	2.6247	3.3159	2.7405	0.9606
H4	1.0883	2.2393	2.0927		3.0958	2.5210	2.7415	2.2388
H5	2.1261	1.0930	2.6247	3.0958		1.7717	1.7636	3.5214
H6	2.1305	1.0907	3.3159	2.5210	1.7717		1.7721	4.0347
H7	2.1523	1.0989	2.7405	2.7415	1.7636	1.7721		3.5977
H8	1.9206	3.2166	0.9606	2.2388	3.5214	4.0347	3.5977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.266	C1	C2	H6	110.761
C1	C2	H7	112.021	C1	O3	H8	109.775
C2	C1	O3	113.367	C2	C1	H4	120.271
O3	C1	H4	116.272	H5	C2	H6	108.453
H5	C2	H7	107.137	H6	C2	H7	108.059

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

using model chemistry: M06-2X/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	-0.070
2	C	-0.701
3	O	-0.531
4	H	0.196
5	H	0.239
6	H	0.228
7	H	0.228
8	H	0.410

	x	y	z	Total
	-0.628	1.318	0.283	1.488
CHELPG
AIM
ESP

	x	y	z
x	4.691	-0.118	0.041
y	-0.118	3.900	0.024
z	0.041	0.024	3.098

<r²>	51.232
(<r²>)^1/2	7.158

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

using model chemistry: M06-2X/6-311G*

States and conformations

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