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	hartrees
Energy at 0K	-153.457879
Energy at 298.15K	-153.462723
HF Energy	-153.457879
Nuclear repulsion energy	73.384654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3331	3313	1.05
2	A	3040	3023	45.86
3	A	3018	3001	25.11
4	A	2987	2971	19.05
5	A	2872	2856	53.36
6	A	1524	1516	2.22
7	A	1498	1490	8.02
8	A	1422	1414	6.50
9	A	1403	1396	5.37
10	A	1250	1243	68.05
11	A	1133	1127	36.82
12	A	1047	1041	5.45
13	A	1013	1008	51.36
14	A	889	884	6.68
15	A	577	574	21.01
16	A	385	383	40.11
17	A	354	352	120.60
18	A	155	154	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.078	0.529	-0.101
C2	1.244	-0.175	0.010
O3	-1.194	-0.349	0.026
H4	-0.186	1.555	0.273
H5	1.250	-1.069	-0.637
H6	2.057	0.498	-0.307
H7	1.468	-0.518	1.045
H8	-2.034	0.203	-0.035

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5018	1.4252	1.0981	2.1458	2.1456	2.1908	1.9839
C2	1.5018		2.4436	2.2602	1.1038	1.1023	1.1128	3.2996
O3	1.4252	2.4436		2.1686	2.6325	3.3759	2.8547	1.0070
H4	1.0981	2.2602	2.1686		3.1272	2.5472	2.7623	2.3107
H5	2.1458	1.1038	2.6325	3.1272		1.7934	1.7834	3.5726
H6	2.1456	1.1023	3.3759	2.5472	1.7934		1.7904	4.1109
H7	2.1908	1.1128	2.8547	2.7623	1.7834	1.7904		3.7347
H8	1.9839	3.2996	1.0070	2.3107	3.5726	4.1109	3.7347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.945	C1	C2	H6	110.014
C1	C2	H7	113.000	C1	O3	H8	108.073
C2	C1	O3	113.174	C2	C1	H4	119.967
O3	C1	H4	117.925	H5	C2	H6	108.768
H5	C2	H7	107.133	H6	C2	H7	107.851

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

using model chemistry: BLYP/3-21G

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	0.011
2	C	-0.572
3	O	-0.481
4	H	0.143
5	H	0.198
6	H	0.183
7	H	0.181
8	H	0.338

	x	y	z	Total
	-0.706	1.184	0.294	1.409
CHELPG
AIM
ESP

	x	y	z
x	4.817	-0.111	0.053
y	-0.111	3.601	0.040
z	0.053	0.040	2.421

<r²>	52.827
(<r²>)^1/2	7.268

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

using model chemistry: BLYP/3-21G

States and conformations

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