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	hartrees
Energy at 0K	-153.422002
Energy at 298.15K	-153.427044
HF Energy	-153.422002
Nuclear repulsion energy	74.473822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4085	3678	50.19
2	A	3322	2991	93.02
3	A	3296	2968	13.77
4	A	3262	2937	46.46
5	A	3179	2862	38.38
6	A	1640	1477	5.17
7	A	1623	1461	10.21
8	A	1578	1421	24.88
9	A	1516	1365	9.90
10	A	1352	1217	126.76
11	A	1259	1133	66.84
12	A	1156	1041	16.49
13	A	1138	1025	57.16
14	A	980	882	14.53
15	A	683	615	15.19
16	A	431	388	16.97
17	A	341	307	236.51
18	A	178	160	7.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	0.526	-0.103
C2	1.238	-0.177	0.009
O3	-1.179	-0.329	0.033
H4	-0.207	1.527	0.279
H5	1.274	-1.016	-0.675
H6	2.049	0.501	-0.229
H7	1.399	-0.562	1.013
H8	-2.028	0.086	-0.082

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4976	1.4002	1.0790	2.1304	2.1325	2.1487	1.9974
C2	1.4976		2.4222	2.2506	1.0832	1.0835	1.0879	3.2774
O3	1.4002	2.4222		2.1103	2.6440	3.3438	2.7682	0.9516
H4	1.0790	2.2506	2.1103		3.0941	2.5303	2.7354	2.3500
H5	2.1304	1.0832	2.6440	3.0941		1.7612	1.7528	3.5308
H6	2.1325	1.0835	3.3438	2.5303	1.7612		1.7596	4.1005
H7	2.1487	1.0879	2.7682	2.7354	1.7528	1.7596		3.6554
H8	1.9974	3.2774	0.9516	2.3500	3.5308	4.1005	3.6554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.242	C1	C2	H6	110.396
C1	C2	H7	111.430	C1	O3	H8	114.940
C2	C1	O3	113.374	C2	C1	H4	120.871
O3	C1	H4	116.081	H5	C2	H6	108.753
H5	C2	H7	107.671	H6	C2	H7	108.257

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

using model chemistry: HF/SDD

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	0.075
2	C	-0.569
3	O	-0.628
4	H	0.147
5	H	0.204
6	H	0.175
7	H	0.192
8	H	0.404

	x	y	z	Total
	-0.250	1.786	0.094	1.806
CHELPG
AIM
ESP

	x	y	z
x	3.959	0.025	0.053
y	0.025	3.338	-0.029
z	0.053	-0.029	2.545

<r²>	52.153
(<r²>)^1/2	7.222

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

using model chemistry: HF/SDD

States and conformations

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