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State	Conformation	minimum conformation	conformer description	state description
1	1	no	CS	²A^'
1	2	yes	C1	²A

	hartrees
Energy at 0K	-153.941819
Energy at 298.15K
HF Energy	-153.457006
Nuclear repulsion energy	74.361751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3643	15.16
2	A'	3172	3005	7.78
3	A'	3015	2856	65.22
4	A'	1527	1447	1.61
5	A'	1498	1419	6.24
6	A'	1447	1370	5.46
7	A'	1260	1194	66.40
8	A'	1094	1037	90.48
9	A'	1022	968	13.12
10	A'	600	569	13.06
11	A'	371	351	29.74
12	A"	3283	3110	10.82
13	A"	3053	2892	66.63
14	A"	1295	1227	0.44
15	A"	1177	1115	1.46
16	A"	807	764	0.74
17	A"	270	256	116.88
18	A"	84i	80i	0.25

Atom	x (Å)	y (Å)	z (Å)
O1	-1.118	-0.356	0.000
C2	0.000	0.539	0.000
C3	1.264	-0.270	0.000
H4	-1.909	0.200	0.000
H5	-0.020	1.195	0.895
H6	-0.020	1.195	-0.895
H7	1.655	-0.678	-0.939
H8	1.655	-0.678	0.939

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4319	2.3843	0.9662	2.1002	2.1002	2.9461	2.9461
C2	1.4319		1.5008	1.9389	1.1102	1.1102	2.2587	2.2587
C3	2.3843	1.5008		3.2080	2.1441	2.1441	1.0960	1.0960
H4	0.9662	1.9389	3.2080		2.3150	2.3150	3.7891	3.7891
H5	2.1002	1.1102	2.1441	2.3150		1.7908	3.1111	2.5131
H6	2.1002	1.1102	2.1441	2.3150	1.7908		2.5131	3.1111
H7	2.9461	2.2587	1.0960	3.7891	3.1111	2.5131		1.8781
H8	2.9461	2.2587	1.0960	3.7891	2.5131	3.1111	1.8781

All results from a given calculation for CH₂CH₂OH (2-hydroxy ethyl radical)

using model chemistry: CCSD/cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.760	O1	C2	H5	110.779
O1	C2	H6	110.779	C2	O1	H4	106.271
C2	C3	H7	120.071	C2	C3	H8	120.071
C3	C2	H5	109.494	C3	C2	H6	109.494
H5	C2	H6	107.514	H7	C3	H8	117.930

	hartrees
Energy at 0K	-153.943239
Energy at 298.15K	-153.947905
HF Energy	-153.458228
Nuclear repulsion energy	74.655602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3868	3665	22.92
2	A	3299	3125	5.70
3	A	3180	3013	5.83
4	A	2999	2841	70.38
5	A	2945	2790	70.64
6	A	1509	1429	6.29
7	A	1492	1413	5.94
8	A	1431	1355	1.11
9	A	1297	1229	76.30
10	A	1239	1174	7.09
11	A	1151	1090	39.70
12	A	1082	1025	19.30
13	A	982	930	9.74
14	A	878	831	14.87
15	A	448	424	16.70
16	A	392	371	34.70
17	A	282	267	93.59
18	A	154	146	18.89

Atom	x (Å)	y (Å)	z (Å)
O1	-1.108	-0.385	-0.050
C2	-0.020	0.524	0.035
C3	1.256	-0.255	-0.031
H4	-1.913	0.131	0.073
H5	-0.060	1.105	0.988
H6	-0.044	1.275	-0.786
H7	2.210	0.261	-0.180
H8	1.252	-1.305	0.280

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4207	2.3670	0.9647	2.0973	2.1047	3.3823	2.5541
C2	1.4207		1.4962	1.9347	1.1170	1.1133	2.2552	2.2415
C3	2.3670	1.4962		3.1943	2.1496	2.1454	1.0950	1.0949
H4	0.9647	1.9347	3.1943		2.2857	2.3542	4.1331	3.4822
H5	2.0973	1.1170	2.1496	2.2857		1.7831	2.6886	2.8344
H6	2.1047	1.1133	2.1454	2.3542	1.7831		2.5449	3.0781
H7	3.3823	2.2552	1.0950	4.1331	2.6886	2.5449		1.8926
H8	2.5541	2.2415	1.0949	3.4822	2.8344	3.0781	1.8926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.454	O1	C2	H5	110.901
O1	C2	H6	111.745	C2	O1	H4	106.833
C2	C3	H7	120.195	C2	C3	H8	118.963
C3	C2	H5	109.837	C3	C2	H6	109.727
H5	C2	H6	106.159	H7	C3	H8	119.586

All results from a given calculation for CH2CH2OH (2-hydroxy ethyl radical)

using model chemistry: CCSD/cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for CH₂CH₂OH (2-hydroxy ethyl radical)