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	hartrees
Energy at 0K	-152.358591
Energy at 298.15K	-152.363355
HF Energy	-152.358591
Nuclear repulsion energy	73.651016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3859	3859	12.39
2	A	3546	3546	0.03
3	A	3503	3503	0.71
4	A	3437	3437	5.36
5	A	3353	3353	1.24
6	A	1700	1700	2.39
7	A	1681	1681	3.84
8	A	1626	1626	15.98
9	A	1567	1567	2.71
10	A	1456	1456	88.65
11	A	1307	1307	7.73
12	A	1150	1150	8.83
13	A	1125	1125	4.10
14	A	1007	1007	2.76
15	A	645	645	7.81
16	A	406	406	7.60
17	A	369	369	81.95
18	A	134	134	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.100	0.513	-0.121
C2	1.252	-0.165	0.016
O3	-1.188	-0.357	0.021
H4	-0.214	1.528	0.290
H5	1.254	-1.117	-0.528
H6	2.037	0.476	-0.402
H7	1.515	-0.376	1.065
H8	-1.996	0.259	0.030

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5192	1.4000	1.1011	2.1580	2.1564	2.1917	1.9189
C2	1.5192		2.4484	2.2563	1.0965	1.0965	1.1012	3.2763
O3	1.4000	2.4484		2.1386	2.6167	3.3584	2.8975	1.0157
H4	1.1011	2.2563	2.1386		3.1338	2.5792	2.6858	2.2034
H5	2.1580	1.0965	2.6167	3.1338		1.7800	1.7755	3.5738
H6	2.1564	1.0965	3.3584	2.5792	1.7800		1.7751	4.0626
H7	2.1917	1.1012	2.8975	2.6858	1.7755	1.7751		3.7148
H8	1.9189	3.2763	1.0157	2.2034	3.5738	4.0626	3.7148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.128	C1	C2	H6	109.999
C1	C2	H7	112.550	C1	O3	H8	104.047
C2	C1	O3	113.948	C2	C1	H4	118.000
O3	C1	H4	117.033	H5	C2	H6	108.510
H5	C2	H7	107.783	H6	C2	H7	107.748

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

using model chemistry: M06-2X/STO-3G

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	-0.012
2	C	-0.227
3	O	-0.228
4	H	0.043
5	H	0.079
6	H	0.075
7	H	0.071
8	H	0.199

	x	y	z	Total
	-0.637	1.013	0.323	1.240
CHELPG
AIM
ESP

	x	y	z
x	2.984	0.028	-0.110
y	0.028	1.907	0.035
z	-0.110	0.035	1.164

<r²>	51.879
(<r²>)^1/2	7.203

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

using model chemistry: M06-2X/STO-3G

States and conformations

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