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	hartrees
Energy at 0K	-153.522537
Energy at 298.15K	-153.527650
HF Energy	-153.522537
Nuclear repulsion energy	75.468325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4174	3776	86.84
2	A	3256	2946	62.54
3	A	3228	2920	12.37
4	A	3193	2889	26.63
5	A	3122	2824	37.25
6	A	1606	1453	1.87
7	A	1587	1436	7.49
8	A	1565	1415	20.47
9	A	1507	1363	2.03
10	A	1385	1253	156.98
11	A	1282	1160	40.72
12	A	1139	1030	27.50
13	A	1118	1011	15.58
14	A	982	888	8.09
15	A	699	633	12.57
16	A	441	399	10.04
17	A	348	315	130.74
18	A	204	185	5.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.097	0.506	-0.111
C2	1.226	-0.164	0.012
O3	-1.160	-0.334	0.026
H4	-0.230	1.502	0.281
H5	1.297	-0.995	-0.681
H6	2.023	0.535	-0.205
H7	1.383	-0.557	1.015
H8	-1.970	0.139	-0.024

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4887	1.3618	1.0779	2.1259	2.1225	2.1423	1.9101
C2	1.4887		2.3918	2.2289	1.0835	1.0826	1.0887	3.2103
O3	1.3618	2.3918		2.0735	2.6399	3.3075	2.7369	0.9396
H4	1.0779	2.2289	2.0735		3.0799	2.4991	2.7163	2.2303
H5	2.1259	1.0835	2.6399	3.0799		1.7593	1.7536	3.5193
H6	2.1225	1.0826	3.3075	2.4991	1.7593		1.7585	4.0164
H7	2.1423	1.0887	2.7369	2.7163	1.7536	1.7585		3.5779
H8	1.9101	3.2103	0.9396	2.2303	3.5193	4.0164	3.5779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.493	C1	C2	H6	110.280
C1	C2	H7	111.504	C1	O3	H8	110.855
C2	C1	O3	114.020	C2	C1	H4	119.703
O3	C1	H4	115.923	H5	C2	H6	108.626
H5	C2	H7	107.664	H6	C2	H7	108.173

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.744
2	C	-0.698
3	O	-0.828
4	H	0.697
5	H	0.404
6	H	0.461
7	H	0.416
8	H	0.292

	x	y	z	Total
	-0.340	1.300	0.260	1.369
CHELPG
AIM
ESP

	x	y	z
x	4.952	-0.065	0.019
y	-0.065	4.373	-0.053
z	0.019	-0.053	3.922

<r²>	51.204
(<r²>)^1/2	7.156

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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